Program PWSCF v.5.3.0 (svn rev. 11974) starts on 27Jan2017 at 19:39:52 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Ba2As.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 95 75 21 1939 1343 211 Max 96 76 22 1941 1363 214 Sum 3451 2711 789 69853 48649 7667 bravais-lattice index = 14 lattice parameter (alat) = 17.7776 a.u. unit-cell volume = 1541.5255 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 50.00 number of Kohn-Sham states= 60 kinetic-energy cutoff = 38.0000 Ry charge density cutoff = 193.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 17.777568 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.851318 celldm(5)= -0.851318 celldm(6)= 0.702636 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.702636 0.711549 0.000000 ) a(3) = ( -0.851318 -0.355775 0.385593 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.987474 1.296705 ) b(2) = ( 0.000000 1.405385 1.296705 ) b(3) = ( 0.000000 0.000000 2.593410 ) PseudoPot. # 1 for Ba read from file: /users/gautes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for As read from file: /users/gautes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1209 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ba 10.00 137.32700 Ba( 1.00) As 5.00 74.92160 As( 1.00) 4 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 269 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037175 k( 2) = ( 0.0000000 0.0000000 0.0294706), wk = 0.0037175 k( 3) = ( 0.0000000 0.0000000 0.0589411), wk = 0.0037175 k( 4) = ( 0.0000000 0.0000000 0.0884117), wk = 0.0037175 k( 5) = ( 0.0000000 0.0000000 0.1178823), wk = 0.0037175 k( 6) = ( 0.0000000 0.0000000 0.1473528), wk = 0.0037175 k( 7) = ( 0.0000000 0.0000000 0.1768234), wk = 0.0037175 k( 8) = ( 0.0000000 0.0000000 0.2062939), wk = 0.0037175 k( 9) = ( 0.0000000 0.0000000 0.2357645), wk = 0.0037175 k( 10) = ( 0.0000000 0.0000000 0.2652351), wk = 0.0037175 k( 11) = ( 0.0000000 0.0000000 0.2947056), wk = 0.0037175 k( 12) = ( 0.0000000 0.0000000 0.3241762), wk = 0.0037175 k( 13) = ( 0.0000000 0.0000000 0.3536468), wk = 0.0037175 k( 14) = ( 0.0000000 0.0000000 0.3831173), wk = 0.0037175 k( 15) = ( 0.0000000 0.0000000 0.4125879), wk = 0.0037175 k( 16) = ( 0.0000000 0.0000000 0.4420585), wk = 0.0037175 k( 17) = ( 0.0000000 0.0000000 0.4715290), wk = 0.0037175 k( 18) = ( 0.0000000 0.0000000 0.5009996), wk = 0.0037175 k( 19) = ( 0.0000000 0.0000000 0.5304702), wk = 0.0037175 k( 20) = ( 0.0000000 0.0000000 0.5599407), wk = 0.0037175 k( 21) = ( 0.0000000 0.0000000 0.5894113), wk = 0.0037175 k( 22) = ( 0.0000000 0.0000000 0.6188819), wk = 0.0037175 k( 23) = ( 0.0000000 0.0000000 0.6483524), wk = 0.0037175 k( 24) = ( 0.0000000 0.0000000 0.6778230), wk = 0.0037175 k( 25) = ( 0.0000000 0.0000000 0.7072936), wk = 0.0037175 k( 26) = ( 0.0000000 0.0000000 0.7367641), wk = 0.0037175 k( 27) = ( 0.0000000 0.0000000 0.7662347), wk = 0.0037175 k( 28) = ( 0.0000000 0.0000000 0.7957053), wk = 0.0037175 k( 29) = ( 0.0000000 0.0000000 0.8251758), wk = 0.0037175 k( 30) = ( 0.0000000 0.0000000 0.8546464), wk = 0.0037175 k( 31) = ( 0.0000000 0.0000000 0.8841170), wk = 0.0037175 k( 32) = ( 0.0000000 0.0000000 0.9135875), wk = 0.0037175 k( 33) = ( 0.0000000 0.0000000 0.9430581), wk = 0.0037175 k( 34) = ( 0.0000000 0.0000000 0.9725287), wk = 0.0037175 k( 35) = ( 0.0000000 0.0000000 1.0019992), wk = 0.0037175 k( 36) = ( 0.0000000 0.0000000 1.0314698), wk = 0.0037175 k( 37) = ( 0.0000000 0.0000000 1.0609404), wk = 0.0037175 k( 38) = ( 0.0000000 0.0000000 1.0904109), wk = 0.0037175 k( 39) = ( 0.0000000 0.0000000 1.1198815), wk = 0.0037175 k( 40) = ( 0.0000000 0.0000000 1.1493521), wk = 0.0037175 k( 41) = ( 0.0000000 0.0000000 1.1788226), wk = 0.0037175 k( 42) = ( 0.0000000 0.0000000 1.2082932), wk = 0.0037175 k( 43) = ( 0.0000000 0.0000000 1.2377638), wk = 0.0037175 k( 44) = ( 0.0000000 0.0000000 1.2672343), wk = 0.0037175 k( 45) = ( 0.0000000 0.0000000 1.2967049), wk = 0.0037175 k( 46) = ( 0.0000000 0.0000000 1.2967049), wk = 0.0037175 k( 47) = ( -0.0109155 0.0261194 1.2967049), wk = 0.0037175 k( 48) = ( -0.0218311 0.0522388 1.2967049), wk = 0.0037175 k( 49) = ( -0.0327467 0.0783581 1.2967049), wk = 0.0037175 k( 50) = ( -0.0436622 0.1044775 1.2967049), wk = 0.0037175 k( 51) = ( -0.0436622 0.1044775 1.2967049), wk = 0.0037175 k( 52) = ( -0.0518111 0.1239767 1.2755715), wk = 0.0037175 k( 53) = ( -0.0599600 0.1434758 1.2544381), wk = 0.0037175 k( 54) = ( -0.0681089 0.1629749 1.2333046), wk = 0.0037175 k( 55) = ( -0.0762578 0.1824741 1.2121712), wk = 0.0037175 k( 56) = ( -0.0844067 0.2019732 1.1910379), wk = 0.0037175 k( 57) = ( -0.0925556 0.2214724 1.1699044), wk = 0.0037175 k( 58) = ( -0.1007044 0.2409715 1.1487710), wk = 0.0037175 k( 59) = ( -0.1088533 0.2604707 1.1276376), wk = 0.0037175 k( 60) = ( -0.1170022 0.2799698 1.1065042), wk = 0.0037175 k( 61) = ( -0.1251511 0.2994690 1.0853708), wk = 0.0037175 k( 62) = ( -0.1333000 0.3189681 1.0642374), wk = 0.0037175 k( 63) = ( -0.1414489 0.3384672 1.0431040), wk = 0.0037175 k( 64) = ( -0.1495978 0.3579664 1.0219706), wk = 0.0037175 k( 65) = ( -0.1577467 0.3774655 1.0008372), wk = 0.0037175 k( 66) = ( -0.1658956 0.3969647 0.9797038), wk = 0.0037175 k( 67) = ( -0.1740444 0.4164638 0.9585704), wk = 0.0037175 k( 68) = ( -0.1821933 0.4359629 0.9374369), wk = 0.0037175 k( 69) = ( -0.1903422 0.4554621 0.9163035), wk = 0.0037175 k( 70) = ( -0.1984911 0.4749612 0.8951701), wk = 0.0037175 k( 71) = ( -0.2066400 0.4944604 0.8740367), wk = 0.0037175 k( 72) = ( -0.2147889 0.5139595 0.8529033), wk = 0.0037175 k( 73) = ( -0.2229378 0.5334587 0.8317699), wk = 0.0037175 k( 74) = ( -0.2310867 0.5529578 0.8106365), wk = 0.0037175 k( 75) = ( -0.2392355 0.5724569 0.7895031), wk = 0.0037175 k( 76) = ( -0.2473844 0.5919561 0.7683697), wk = 0.0037175 k( 77) = ( -0.2555333 0.6114552 0.7472363), wk = 0.0037175 k( 78) = ( -0.2636822 0.6309544 0.7261029), wk = 0.0037175 k( 79) = ( -0.2718311 0.6504535 0.7049695), wk = 0.0037175 k( 80) = ( -0.2718311 0.6504535 0.7049695), wk = 0.0037175 k( 81) = ( -0.2638361 0.6313225 0.6842351), wk = 0.0037175 k( 82) = ( -0.2558410 0.6121915 0.6635006), wk = 0.0037175 k( 83) = ( -0.2478460 0.5930606 0.6427663), wk = 0.0037175 k( 84) = ( -0.2398510 0.5739296 0.6220319), wk = 0.0037175 k( 85) = ( -0.2318560 0.5547986 0.6012975), wk = 0.0037175 k( 86) = ( -0.2238609 0.5356676 0.5805631), wk = 0.0037175 k( 87) = ( -0.2158659 0.5165366 0.5598287), wk = 0.0037175 k( 88) = ( -0.2078708 0.4974056 0.5390943), wk = 0.0037175 k( 89) = ( -0.1998758 0.4782747 0.5183599), wk = 0.0037175 k( 90) = ( -0.1918808 0.4591437 0.4976255), wk = 0.0037175 k( 91) = ( -0.1838857 0.4400127 0.4768911), wk = 0.0037175 k( 92) = ( -0.1758907 0.4208817 0.4561567), wk = 0.0037175 k( 93) = ( -0.1678957 0.4017507 0.4354223), wk = 0.0037175 k( 94) = ( -0.1599007 0.3826197 0.4146879), wk = 0.0037175 k( 95) = ( -0.1519056 0.3634887 0.3939535), wk = 0.0037175 k( 96) = ( -0.1439106 0.3443577 0.3732191), wk = 0.0037175 k( 97) = ( -0.1359155 0.3252267 0.3524847), wk = 0.0037175 k( 98) = ( -0.1279205 0.3060958 0.3317503), wk = 0.0037175 k( 99) = ( -0.1199255 0.2869648 0.3110159), wk = 0.0037175 k( 100) = ( -0.1119305 0.2678338 0.2902815), wk = 0.0037175 k( 101) = ( -0.1039354 0.2487028 0.2695471), wk = 0.0037175 k( 102) = ( -0.0959404 0.2295718 0.2488127), wk = 0.0037175 k( 103) = ( -0.0879454 0.2104408 0.2280784), wk = 0.0037175 k( 104) = ( -0.0799503 0.1913099 0.2073440), wk = 0.0037175 k( 105) = ( -0.0719553 0.1721789 0.1866096), wk = 0.0037175 k( 106) = ( -0.0639603 0.1530479 0.1658752), wk = 0.0037175 k( 107) = ( -0.0559652 0.1339169 0.1451408), wk = 0.0037175 k( 108) = ( -0.0479702 0.1147859 0.1244064), wk = 0.0037175 k( 109) = ( -0.0399752 0.0956549 0.1036720), wk = 0.0037175 k( 110) = ( -0.0319801 0.0765239 0.0829376), wk = 0.0037175 k( 111) = ( -0.0239851 0.0573930 0.0622032), wk = 0.0037175 k( 112) = ( -0.0159901 0.0382620 0.0414688), wk = 0.0037175 k( 113) = ( -0.0079950 0.0191310 0.0207344), wk = 0.0037175 k( 114) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037175 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037175 k( 116) = ( 0.0263158 0.0109976 0.0000000), wk = 0.0037175 k( 117) = ( 0.0526316 0.0219953 0.0000000), wk = 0.0037175 k( 118) = ( 0.0789474 0.0329929 0.0000000), wk = 0.0037175 k( 119) = ( 0.1052632 0.0439905 0.0000000), wk = 0.0037175 k( 120) = ( 0.1315790 0.0549882 0.0000000), wk = 0.0037175 k( 121) = ( 0.1578947 0.0659858 0.0000000), wk = 0.0037175 k( 122) = ( 0.1842105 0.0769834 0.0000000), wk = 0.0037175 k( 123) = ( 0.2105263 0.0879811 0.0000000), wk = 0.0037175 k( 124) = ( 0.2368421 0.0989787 0.0000000), wk = 0.0037175 k( 125) = ( 0.2631579 0.1099763 0.0000000), wk = 0.0037175 k( 126) = ( 0.2894737 0.1209740 0.0000000), wk = 0.0037175 k( 127) = ( 0.3157895 0.1319716 0.0000000), wk = 0.0037175 k( 128) = ( 0.3421053 0.1429693 0.0000000), wk = 0.0037175 k( 129) = ( 0.3684211 0.1539669 0.0000000), wk = 0.0037175 k( 130) = ( 0.3947368 0.1649645 0.0000000), wk = 0.0037175 k( 131) = ( 0.4210526 0.1759622 0.0000000), wk = 0.0037175 k( 132) = ( 0.4473684 0.1869598 0.0000000), wk = 0.0037175 k( 133) = ( 0.4736842 0.1979574 0.0000000), wk = 0.0037175 k( 134) = ( 0.5000000 0.2089551 0.0000000), wk = 0.0037175 k( 135) = ( 0.5000000 0.2089551 0.0000000), wk = 0.0037175 k( 136) = ( 0.4918511 0.2284542 0.0211334), wk = 0.0037175 k( 137) = ( 0.4837022 0.2479534 0.0422668), wk = 0.0037175 k( 138) = ( 0.4755533 0.2674525 0.0634002), wk = 0.0037175 k( 139) = ( 0.4674044 0.2869516 0.0845336), wk = 0.0037175 k( 140) = ( 0.4592556 0.3064508 0.1056670), wk = 0.0037175 k( 141) = ( 0.4511067 0.3259499 0.1268004), wk = 0.0037175 k( 142) = ( 0.4429578 0.3454491 0.1479338), wk = 0.0037175 k( 143) = ( 0.4348089 0.3649482 0.1690673), wk = 0.0037175 k( 144) = ( 0.4266600 0.3844473 0.1902007), wk = 0.0037175 k( 145) = ( 0.4185111 0.4039465 0.2113341), wk = 0.0037175 k( 146) = ( 0.4103622 0.4234456 0.2324675), wk = 0.0037175 k( 147) = ( 0.4022133 0.4429448 0.2536009), wk = 0.0037175 k( 148) = ( 0.3940644 0.4624439 0.2747343), wk = 0.0037175 k( 149) = ( 0.3859155 0.4819431 0.2958677), wk = 0.0037175 k( 150) = ( 0.3777667 0.5014422 0.3170011), wk = 0.0037175 k( 151) = ( 0.3696178 0.5209413 0.3381345), wk = 0.0037175 k( 152) = ( 0.3614689 0.5404405 0.3592679), wk = 0.0037175 k( 153) = ( 0.3533200 0.5599396 0.3804013), wk = 0.0037175 k( 154) = ( 0.3451711 0.5794388 0.4015348), wk = 0.0037175 k( 155) = ( 0.3370222 0.5989379 0.4226682), wk = 0.0037175 k( 156) = ( 0.3288733 0.6184371 0.4438016), wk = 0.0037175 k( 157) = ( 0.3207244 0.6379362 0.4649350), wk = 0.0037175 k( 158) = ( 0.3125755 0.6574353 0.4860684), wk = 0.0037175 k( 159) = ( 0.3044267 0.6769345 0.5072018), wk = 0.0037175 k( 160) = ( 0.2962778 0.6964336 0.5283352), wk = 0.0037175 k( 161) = ( 0.2881289 0.7159328 0.5494686), wk = 0.0037175 k( 162) = ( 0.2799800 0.7354319 0.5706020), wk = 0.0037175 k( 163) = ( 0.2718311 0.7549310 0.5917354), wk = 0.0037175 k( 164) = ( 0.2718311 0.7549310 0.5917354), wk = 0.0037175 k( 165) = ( 0.2446480 0.7497072 0.5973971), wk = 0.0037175 k( 166) = ( 0.2174649 0.7444833 0.6030588), wk = 0.0037175 k( 167) = ( 0.1902818 0.7392594 0.6087205), wk = 0.0037175 k( 168) = ( 0.1630987 0.7340355 0.6143822), wk = 0.0037175 k( 169) = ( 0.1359155 0.7288117 0.6200439), wk = 0.0037175 k( 170) = ( 0.1087324 0.7235878 0.6257056), wk = 0.0037175 k( 171) = ( 0.0815493 0.7183639 0.6313673), wk = 0.0037175 k( 172) = ( 0.0543662 0.7131400 0.6370290), wk = 0.0037175 k( 173) = ( 0.0271831 0.7079162 0.6426907), wk = 0.0037175 k( 174) = ( 0.0000000 0.7026923 0.6483524), wk = 0.0037175 k( 175) = ( 0.0000000 0.7026923 0.6483524), wk = 0.0037175 k( 176) = ( 0.0080645 0.6833950 0.6692670), wk = 0.0037175 k( 177) = ( 0.0161290 0.6640978 0.6901816), wk = 0.0037175 k( 178) = ( 0.0241936 0.6448005 0.7110962), wk = 0.0037175 k( 179) = ( 0.0322581 0.6255033 0.7320108), wk = 0.0037175 k( 180) = ( 0.0403226 0.6062060 0.7529254), wk = 0.0037175 k( 181) = ( 0.0483871 0.5869088 0.7738400), wk = 0.0037175 k( 182) = ( 0.0564516 0.5676115 0.7947546), wk = 0.0037175 k( 183) = ( 0.0645161 0.5483143 0.8156692), wk = 0.0037175 k( 184) = ( 0.0725806 0.5290170 0.8365838), wk = 0.0037175 k( 185) = ( 0.0806452 0.5097198 0.8574984), wk = 0.0037175 k( 186) = ( 0.0887097 0.4904225 0.8784130), wk = 0.0037175 k( 187) = ( 0.0967742 0.4711253 0.8993276), wk = 0.0037175 k( 188) = ( 0.1048387 0.4518280 0.9202422), wk = 0.0037175 k( 189) = ( 0.1129032 0.4325308 0.9411568), wk = 0.0037175 k( 190) = ( 0.1209677 0.4132335 0.9620714), wk = 0.0037175 k( 191) = ( 0.1290323 0.3939363 0.9829860), wk = 0.0037175 k( 192) = ( 0.1370968 0.3746390 1.0039005), wk = 0.0037175 k( 193) = ( 0.1451613 0.3553418 1.0248151), wk = 0.0037175 k( 194) = ( 0.1532258 0.3360445 1.0457298), wk = 0.0037175 k( 195) = ( 0.1612903 0.3167473 1.0666443), wk = 0.0037175 k( 196) = ( 0.1693548 0.2974500 1.0875589), wk = 0.0037175 k( 197) = ( 0.1774194 0.2781528 1.1084735), wk = 0.0037175 k( 198) = ( 0.1854839 0.2588555 1.1293881), wk = 0.0037175 k( 199) = ( 0.1935484 0.2395583 1.1503027), wk = 0.0037175 k( 200) = ( 0.2016129 0.2202610 1.1712173), wk = 0.0037175 k( 201) = ( 0.2096774 0.2009638 1.1921319), wk = 0.0037175 k( 202) = ( 0.2177419 0.1816665 1.2130465), wk = 0.0037175 k( 203) = ( 0.2258064 0.1623693 1.2339611), wk = 0.0037175 k( 204) = ( 0.2338710 0.1430720 1.2548757), wk = 0.0037175 k( 205) = ( 0.2419355 0.1237748 1.2757903), wk = 0.0037175 k( 206) = ( 0.2500000 0.1044775 1.2967049), wk = 0.0037175 k( 207) = ( 0.2500000 0.1044775 1.2967049), wk = 0.0037175 k( 208) = ( 0.2750000 0.1149253 1.2853815), wk = 0.0037175 k( 209) = ( 0.3000000 0.1253730 1.2740581), wk = 0.0037175 k( 210) = ( 0.3250000 0.1358208 1.2627347), wk = 0.0037175 k( 211) = ( 0.3500000 0.1462685 1.2514113), wk = 0.0037175 k( 212) = ( 0.3750000 0.1567163 1.2400879), wk = 0.0037175 k( 213) = ( 0.4000000 0.1671640 1.2287645), wk = 0.0037175 k( 214) = ( 0.4250000 0.1776118 1.2174411), wk = 0.0037175 k( 215) = ( 0.4500000 0.1880596 1.2061177), wk = 0.0037175 k( 216) = ( 0.4750000 0.1985073 1.1947942), wk = 0.0037175 k( 217) = ( 0.5000000 0.2089551 1.1834709), wk = 0.0037175 k( 218) = ( 0.5000000 0.2089551 1.1834709), wk = 0.0037175 k( 219) = ( 0.5000000 0.2089551 1.1538841), wk = 0.0037175 k( 220) = ( 0.5000000 0.2089551 1.1242973), wk = 0.0037175 k( 221) = ( 0.5000000 0.2089551 1.0947105), wk = 0.0037175 k( 222) = ( 0.5000000 0.2089551 1.0651238), wk = 0.0037175 k( 223) = ( 0.5000000 0.2089551 1.0355370), wk = 0.0037175 k( 224) = ( 0.5000000 0.2089551 1.0059502), wk = 0.0037175 k( 225) = ( 0.5000000 0.2089551 0.9763635), wk = 0.0037175 k( 226) = ( 0.5000000 0.2089551 0.9467767), wk = 0.0037175 k( 227) = ( 0.5000000 0.2089551 0.9171899), wk = 0.0037175 k( 228) = ( 0.5000000 0.2089551 0.8876032), wk = 0.0037175 k( 229) = ( 0.5000000 0.2089551 0.8580164), wk = 0.0037175 k( 230) = ( 0.5000000 0.2089551 0.8284296), wk = 0.0037175 k( 231) = ( 0.5000000 0.2089551 0.7988428), wk = 0.0037175 k( 232) = ( 0.5000000 0.2089551 0.7692561), wk = 0.0037175 k( 233) = ( 0.5000000 0.2089551 0.7396693), wk = 0.0037175 k( 234) = ( 0.5000000 0.2089551 0.7100825), wk = 0.0037175 k( 235) = ( 0.5000000 0.2089551 0.6804957), wk = 0.0037175 k( 236) = ( 0.5000000 0.2089551 0.6509090), wk = 0.0037175 k( 237) = ( 0.5000000 0.2089551 0.6213222), wk = 0.0037175 k( 238) = ( 0.5000000 0.2089551 0.5917354), wk = 0.0037175 k( 239) = ( 0.5000000 0.2089551 0.5621487), wk = 0.0037175 k( 240) = ( 0.5000000 0.2089551 0.5325619), wk = 0.0037175 k( 241) = ( 0.5000000 0.2089551 0.5029751), wk = 0.0037175 k( 242) = ( 0.5000000 0.2089551 0.4733883), wk = 0.0037175 k( 243) = ( 0.5000000 0.2089551 0.4438016), wk = 0.0037175 k( 244) = ( 0.5000000 0.2089551 0.4142148), wk = 0.0037175 k( 245) = ( 0.5000000 0.2089551 0.3846280), wk = 0.0037175 k( 246) = ( 0.5000000 0.2089551 0.3550412), wk = 0.0037175 k( 247) = ( 0.5000000 0.2089551 0.3254545), wk = 0.0037175 k( 248) = ( 0.5000000 0.2089551 0.2958677), wk = 0.0037175 k( 249) = ( 0.5000000 0.2089551 0.2662809), wk = 0.0037175 k( 250) = ( 0.5000000 0.2089551 0.2366942), wk = 0.0037175 k( 251) = ( 0.5000000 0.2089551 0.2071074), wk = 0.0037175 k( 252) = ( 0.5000000 0.2089551 0.1775206), wk = 0.0037175 k( 253) = ( 0.5000000 0.2089551 0.1479338), wk = 0.0037175 k( 254) = ( 0.5000000 0.2089551 0.1183471), wk = 0.0037175 k( 255) = ( 0.5000000 0.2089551 0.0887603), wk = 0.0037175 k( 256) = ( 0.5000000 0.2089551 0.0591735), wk = 0.0037175 k( 257) = ( 0.5000000 0.2089551 0.0295868), wk = 0.0037175 k( 258) = ( 0.5000000 0.2089551 0.0000000), wk = 0.0037175 k( 259) = ( 0.0000000 0.0000000 1.2967049), wk = 0.0037175 k( 260) = ( 0.0250000 0.0104478 1.2967049), wk = 0.0037175 k( 261) = ( 0.0500000 0.0208955 1.2967049), wk = 0.0037175 k( 262) = ( 0.0750000 0.0313433 1.2967049), wk = 0.0037175 k( 263) = ( 0.1000000 0.0417910 1.2967049), wk = 0.0037175 k( 264) = ( 0.1250000 0.0522388 1.2967049), wk = 0.0037175 k( 265) = ( 0.1500000 0.0626865 1.2967049), wk = 0.0037175 k( 266) = ( 0.1750000 0.0731343 1.2967049), wk = 0.0037175 k( 267) = ( 0.2000000 0.0835820 1.2967049), wk = 0.0037175 k( 268) = ( 0.2250000 0.0940298 1.2967049), wk = 0.0037175 k( 269) = ( 0.2500000 0.1044775 1.2967049), wk = 0.0037175 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037175 k( 2) = ( 0.0000000 0.0000000 0.0113636), wk = 0.0037175 k( 3) = ( 0.0000000 0.0000000 0.0227273), wk = 0.0037175 k( 4) = ( 0.0000000 0.0000000 0.0340909), wk = 0.0037175 k( 5) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0037175 k( 6) = ( 0.0000000 0.0000000 0.0568182), wk = 0.0037175 k( 7) = ( 0.0000000 0.0000000 0.0681818), wk = 0.0037175 k( 8) = ( 0.0000000 0.0000000 0.0795455), wk = 0.0037175 k( 9) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0037175 k( 10) = ( 0.0000000 0.0000000 0.1022727), wk = 0.0037175 k( 11) = ( 0.0000000 0.0000000 0.1136364), wk = 0.0037175 k( 12) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0037175 k( 13) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0037175 k( 14) = ( 0.0000000 0.0000000 0.1477273), wk = 0.0037175 k( 15) = ( 0.0000000 0.0000000 0.1590909), wk = 0.0037175 k( 16) = ( 0.0000000 0.0000000 0.1704546), wk = 0.0037175 k( 17) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0037175 k( 18) = ( 0.0000000 0.0000000 0.1931818), wk = 0.0037175 k( 19) = ( 0.0000000 0.0000000 0.2045454), wk = 0.0037175 k( 20) = ( 0.0000000 0.0000000 0.2159091), wk = 0.0037175 k( 21) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0037175 k( 22) = ( 0.0000000 0.0000000 0.2386364), wk = 0.0037175 k( 23) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0037175 k( 24) = ( 0.0000000 0.0000000 0.2613636), wk = 0.0037175 k( 25) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0037175 k( 26) = ( 0.0000000 0.0000000 0.2840909), wk = 0.0037175 k( 27) = ( 0.0000000 0.0000000 0.2954545), wk = 0.0037175 k( 28) = ( 0.0000000 0.0000000 0.3068182), wk = 0.0037175 k( 29) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0037175 k( 30) = ( 0.0000000 0.0000000 0.3295455), wk = 0.0037175 k( 31) = ( 0.0000000 0.0000000 0.3409091), wk = 0.0037175 k( 32) = ( 0.0000000 0.0000000 0.3522727), wk = 0.0037175 k( 33) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0037175 k( 34) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0037175 k( 35) = ( 0.0000000 0.0000000 0.3863636), wk = 0.0037175 k( 36) = ( 0.0000000 0.0000000 0.3977273), wk = 0.0037175 k( 37) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0037175 k( 38) = ( 0.0000000 0.0000000 0.4204546), wk = 0.0037175 k( 39) = ( 0.0000000 0.0000000 0.4318182), wk = 0.0037175 k( 40) = ( 0.0000000 0.0000000 0.4431818), wk = 0.0037175 k( 41) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0037175 k( 42) = ( 0.0000000 0.0000000 0.4659091), wk = 0.0037175 k( 43) = ( 0.0000000 0.0000000 0.4772727), wk = 0.0037175 k( 44) = ( 0.0000000 0.0000000 0.4886364), wk = 0.0037175 k( 45) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037175 k( 46) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037175 k( 47) = ( -0.0109155 0.0109156 0.5000000), wk = 0.0037175 k( 48) = ( -0.0218311 0.0218311 0.5000000), wk = 0.0037175 k( 49) = ( -0.0327467 0.0327467 0.5000000), wk = 0.0037175 k( 50) = ( -0.0436622 0.0436622 0.5000000), wk = 0.0037175 k( 51) = ( -0.0436622 0.0436622 0.5000000), wk = 0.0037175 k( 52) = ( -0.0518111 0.0518111 0.4918511), wk = 0.0037175 k( 53) = ( -0.0599600 0.0599600 0.4837022), wk = 0.0037175 k( 54) = ( -0.0681089 0.0681089 0.4755533), wk = 0.0037175 k( 55) = ( -0.0762578 0.0762578 0.4674044), wk = 0.0037175 k( 56) = ( -0.0844067 0.0844067 0.4592556), wk = 0.0037175 k( 57) = ( -0.0925556 0.0925556 0.4511067), wk = 0.0037175 k( 58) = ( -0.1007044 0.1007044 0.4429578), wk = 0.0037175 k( 59) = ( -0.1088533 0.1088533 0.4348089), wk = 0.0037175 k( 60) = ( -0.1170022 0.1170022 0.4266600), wk = 0.0037175 k( 61) = ( -0.1251511 0.1251511 0.4185111), wk = 0.0037175 k( 62) = ( -0.1333000 0.1333000 0.4103622), wk = 0.0037175 k( 63) = ( -0.1414489 0.1414489 0.4022133), wk = 0.0037175 k( 64) = ( -0.1495978 0.1495978 0.3940644), wk = 0.0037175 k( 65) = ( -0.1577467 0.1577467 0.3859156), wk = 0.0037175 k( 66) = ( -0.1658956 0.1658956 0.3777667), wk = 0.0037175 k( 67) = ( -0.1740444 0.1740444 0.3696178), wk = 0.0037175 k( 68) = ( -0.1821933 0.1821933 0.3614689), wk = 0.0037175 k( 69) = ( -0.1903422 0.1903422 0.3533200), wk = 0.0037175 k( 70) = ( -0.1984911 0.1984911 0.3451711), wk = 0.0037175 k( 71) = ( -0.2066400 0.2066400 0.3370222), wk = 0.0037175 k( 72) = ( -0.2147889 0.2147889 0.3288733), wk = 0.0037175 k( 73) = ( -0.2229378 0.2229378 0.3207244), wk = 0.0037175 k( 74) = ( -0.2310867 0.2310867 0.3125756), wk = 0.0037175 k( 75) = ( -0.2392355 0.2392356 0.3044267), wk = 0.0037175 k( 76) = ( -0.2473844 0.2473844 0.2962778), wk = 0.0037175 k( 77) = ( -0.2555333 0.2555333 0.2881289), wk = 0.0037175 k( 78) = ( -0.2636822 0.2636822 0.2799800), wk = 0.0037175 k( 79) = ( -0.2718311 0.2718311 0.2718311), wk = 0.0037175 k( 80) = ( -0.2718311 0.2718311 0.2718311), wk = 0.0037175 k( 81) = ( -0.2638361 0.2638361 0.2638361), wk = 0.0037175 k( 82) = ( -0.2558410 0.2558410 0.2558410), wk = 0.0037175 k( 83) = ( -0.2478460 0.2478460 0.2478460), wk = 0.0037175 k( 84) = ( -0.2398510 0.2398510 0.2398510), wk = 0.0037175 k( 85) = ( -0.2318560 0.2318560 0.2318560), wk = 0.0037175 k( 86) = ( -0.2238609 0.2238609 0.2238609), wk = 0.0037175 k( 87) = ( -0.2158659 0.2158659 0.2158659), wk = 0.0037175 k( 88) = ( -0.2078708 0.2078709 0.2078708), wk = 0.0037175 k( 89) = ( -0.1998758 0.1998758 0.1998758), wk = 0.0037175 k( 90) = ( -0.1918808 0.1918808 0.1918808), wk = 0.0037175 k( 91) = ( -0.1838857 0.1838857 0.1838858), wk = 0.0037175 k( 92) = ( -0.1758907 0.1758907 0.1758907), wk = 0.0037175 k( 93) = ( -0.1678957 0.1678957 0.1678957), wk = 0.0037175 k( 94) = ( -0.1599007 0.1599007 0.1599007), wk = 0.0037175 k( 95) = ( -0.1519056 0.1519056 0.1519056), wk = 0.0037175 k( 96) = ( -0.1439106 0.1439106 0.1439106), wk = 0.0037175 k( 97) = ( -0.1359155 0.1359156 0.1359155), wk = 0.0037175 k( 98) = ( -0.1279205 0.1279205 0.1279205), wk = 0.0037175 k( 99) = ( -0.1199255 0.1199255 0.1199255), wk = 0.0037175 k( 100) = ( -0.1119305 0.1119305 0.1119305), wk = 0.0037175 k( 101) = ( -0.1039354 0.1039354 0.1039354), wk = 0.0037175 k( 102) = ( -0.0959404 0.0959404 0.0959404), wk = 0.0037175 k( 103) = ( -0.0879454 0.0879454 0.0879454), wk = 0.0037175 k( 104) = ( -0.0799503 0.0799503 0.0799503), wk = 0.0037175 k( 105) = ( -0.0719553 0.0719553 0.0719553), wk = 0.0037175 k( 106) = ( -0.0639603 0.0639603 0.0639603), wk = 0.0037175 k( 107) = ( -0.0559652 0.0559652 0.0559652), wk = 0.0037175 k( 108) = ( -0.0479702 0.0479702 0.0479702), wk = 0.0037175 k( 109) = ( -0.0399752 0.0399752 0.0399752), wk = 0.0037175 k( 110) = ( -0.0319801 0.0319801 0.0319801), wk = 0.0037175 k( 111) = ( -0.0239851 0.0239851 0.0239851), wk = 0.0037175 k( 112) = ( -0.0159901 0.0159901 0.0159901), wk = 0.0037175 k( 113) = ( -0.0079950 0.0079950 0.0079950), wk = 0.0037175 k( 114) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037175 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037175 k( 116) = ( 0.0263158 0.0263158 -0.0263158), wk = 0.0037175 k( 117) = ( 0.0526316 0.0526316 -0.0526316), wk = 0.0037175 k( 118) = ( 0.0789474 0.0789474 -0.0789474), wk = 0.0037175 k( 119) = ( 0.1052632 0.1052632 -0.1052632), wk = 0.0037175 k( 120) = ( 0.1315790 0.1315790 -0.1315790), wk = 0.0037175 k( 121) = ( 0.1578947 0.1578947 -0.1578947), wk = 0.0037175 k( 122) = ( 0.1842105 0.1842105 -0.1842105), wk = 0.0037175 k( 123) = ( 0.2105263 0.2105263 -0.2105263), wk = 0.0037175 k( 124) = ( 0.2368421 0.2368421 -0.2368421), wk = 0.0037175 k( 125) = ( 0.2631579 0.2631579 -0.2631579), wk = 0.0037175 k( 126) = ( 0.2894737 0.2894737 -0.2894737), wk = 0.0037175 k( 127) = ( 0.3157895 0.3157895 -0.3157895), wk = 0.0037175 k( 128) = ( 0.3421053 0.3421053 -0.3421053), wk = 0.0037175 k( 129) = ( 0.3684211 0.3684211 -0.3684210), wk = 0.0037175 k( 130) = ( 0.3947368 0.3947368 -0.3947368), wk = 0.0037175 k( 131) = ( 0.4210526 0.4210526 -0.4210526), wk = 0.0037175 k( 132) = ( 0.4473684 0.4473684 -0.4473684), wk = 0.0037175 k( 133) = ( 0.4736842 0.4736842 -0.4736842), wk = 0.0037175 k( 134) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0037175 k( 135) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0037175 k( 136) = ( 0.4918511 0.5081489 -0.4918511), wk = 0.0037175 k( 137) = ( 0.4837022 0.5162978 -0.4837022), wk = 0.0037175 k( 138) = ( 0.4755533 0.5244467 -0.4755533), wk = 0.0037175 k( 139) = ( 0.4674044 0.5325956 -0.4674044), wk = 0.0037175 k( 140) = ( 0.4592556 0.5407444 -0.4592556), wk = 0.0037175 k( 141) = ( 0.4511067 0.5488933 -0.4511067), wk = 0.0037175 k( 142) = ( 0.4429578 0.5570422 -0.4429578), wk = 0.0037175 k( 143) = ( 0.4348089 0.5651911 -0.4348089), wk = 0.0037175 k( 144) = ( 0.4266600 0.5733400 -0.4266600), wk = 0.0037175 k( 145) = ( 0.4185111 0.5814889 -0.4185111), wk = 0.0037175 k( 146) = ( 0.4103622 0.5896378 -0.4103622), wk = 0.0037175 k( 147) = ( 0.4022133 0.5977867 -0.4022133), wk = 0.0037175 k( 148) = ( 0.3940644 0.6059356 -0.3940644), wk = 0.0037175 k( 149) = ( 0.3859155 0.6140845 -0.3859155), wk = 0.0037175 k( 150) = ( 0.3777667 0.6222333 -0.3777667), wk = 0.0037175 k( 151) = ( 0.3696178 0.6303822 -0.3696178), wk = 0.0037175 k( 152) = ( 0.3614689 0.6385311 -0.3614689), wk = 0.0037175 k( 153) = ( 0.3533200 0.6466800 -0.3533200), wk = 0.0037175 k( 154) = ( 0.3451711 0.6548289 -0.3451711), wk = 0.0037175 k( 155) = ( 0.3370222 0.6629778 -0.3370222), wk = 0.0037175 k( 156) = ( 0.3288733 0.6711267 -0.3288733), wk = 0.0037175 k( 157) = ( 0.3207244 0.6792756 -0.3207244), wk = 0.0037175 k( 158) = ( 0.3125755 0.6874244 -0.3125755), wk = 0.0037175 k( 159) = ( 0.3044267 0.6955733 -0.3044267), wk = 0.0037175 k( 160) = ( 0.2962778 0.7037222 -0.2962778), wk = 0.0037175 k( 161) = ( 0.2881289 0.7118711 -0.2881289), wk = 0.0037175 k( 162) = ( 0.2799800 0.7200200 -0.2799800), wk = 0.0037175 k( 163) = ( 0.2718311 0.7281689 -0.2718311), wk = 0.0037175 k( 164) = ( 0.2718311 0.7281689 -0.2718311), wk = 0.0037175 k( 165) = ( 0.2446480 0.7053520 -0.2446480), wk = 0.0037175 k( 166) = ( 0.2174649 0.6825351 -0.2174649), wk = 0.0037175 k( 167) = ( 0.1902818 0.6597182 -0.1902818), wk = 0.0037175 k( 168) = ( 0.1630987 0.6369013 -0.1630987), wk = 0.0037175 k( 169) = ( 0.1359155 0.6140845 -0.1359155), wk = 0.0037175 k( 170) = ( 0.1087324 0.5912676 -0.1087324), wk = 0.0037175 k( 171) = ( 0.0815493 0.5684507 -0.0815493), wk = 0.0037175 k( 172) = ( 0.0543662 0.5456338 -0.0543662), wk = 0.0037175 k( 173) = ( 0.0271831 0.5228169 -0.0271831), wk = 0.0037175 k( 174) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0037175 k( 175) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0037175 k( 176) = ( 0.0080645 0.4919355 0.0080645), wk = 0.0037175 k( 177) = ( 0.0161290 0.4838710 0.0161290), wk = 0.0037175 k( 178) = ( 0.0241936 0.4758065 0.0241936), wk = 0.0037175 k( 179) = ( 0.0322581 0.4677419 0.0322581), wk = 0.0037175 k( 180) = ( 0.0403226 0.4596774 0.0403226), wk = 0.0037175 k( 181) = ( 0.0483871 0.4516129 0.0483871), wk = 0.0037175 k( 182) = ( 0.0564516 0.4435484 0.0564516), wk = 0.0037175 k( 183) = ( 0.0645161 0.4354839 0.0645161), wk = 0.0037175 k( 184) = ( 0.0725806 0.4274194 0.0725807), wk = 0.0037175 k( 185) = ( 0.0806452 0.4193548 0.0806452), wk = 0.0037175 k( 186) = ( 0.0887097 0.4112903 0.0887097), wk = 0.0037175 k( 187) = ( 0.0967742 0.4032258 0.0967742), wk = 0.0037175 k( 188) = ( 0.1048387 0.3951613 0.1048387), wk = 0.0037175 k( 189) = ( 0.1129032 0.3870968 0.1129032), wk = 0.0037175 k( 190) = ( 0.1209677 0.3790323 0.1209677), wk = 0.0037175 k( 191) = ( 0.1290323 0.3709677 0.1290323), wk = 0.0037175 k( 192) = ( 0.1370968 0.3629032 0.1370968), wk = 0.0037175 k( 193) = ( 0.1451613 0.3548387 0.1451613), wk = 0.0037175 k( 194) = ( 0.1532258 0.3467742 0.1532258), wk = 0.0037175 k( 195) = ( 0.1612903 0.3387097 0.1612903), wk = 0.0037175 k( 196) = ( 0.1693548 0.3306452 0.1693548), wk = 0.0037175 k( 197) = ( 0.1774194 0.3225807 0.1774194), wk = 0.0037175 k( 198) = ( 0.1854839 0.3145161 0.1854839), wk = 0.0037175 k( 199) = ( 0.1935484 0.3064516 0.1935484), wk = 0.0037175 k( 200) = ( 0.2016129 0.2983871 0.2016129), wk = 0.0037175 k( 201) = ( 0.2096774 0.2903226 0.2096774), wk = 0.0037175 k( 202) = ( 0.2177419 0.2822581 0.2177419), wk = 0.0037175 k( 203) = ( 0.2258064 0.2741936 0.2258065), wk = 0.0037175 k( 204) = ( 0.2338710 0.2661290 0.2338710), wk = 0.0037175 k( 205) = ( 0.2419355 0.2580645 0.2419355), wk = 0.0037175 k( 206) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0037175 k( 207) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0037175 k( 208) = ( 0.2750000 0.2750000 0.2206338), wk = 0.0037175 k( 209) = ( 0.3000000 0.3000000 0.1912676), wk = 0.0037175 k( 210) = ( 0.3250000 0.3250000 0.1619013), wk = 0.0037175 k( 211) = ( 0.3500000 0.3500000 0.1325351), wk = 0.0037175 k( 212) = ( 0.3750000 0.3750000 0.1031689), wk = 0.0037175 k( 213) = ( 0.4000000 0.4000000 0.0738027), wk = 0.0037175 k( 214) = ( 0.4250000 0.4250000 0.0444364), wk = 0.0037175 k( 215) = ( 0.4500000 0.4500000 0.0150702), wk = 0.0037175 k( 216) = ( 0.4750000 0.4750000 -0.0142960), wk = 0.0037175 k( 217) = ( 0.5000000 0.5000000 -0.0436622), wk = 0.0037175 k( 218) = ( 0.5000000 0.5000000 -0.0436622), wk = 0.0037175 k( 219) = ( 0.5000000 0.5000000 -0.0550707), wk = 0.0037175 k( 220) = ( 0.5000000 0.5000000 -0.0664791), wk = 0.0037175 k( 221) = ( 0.5000000 0.5000000 -0.0778876), wk = 0.0037175 k( 222) = ( 0.5000000 0.5000000 -0.0892960), wk = 0.0037175 k( 223) = ( 0.5000000 0.5000000 -0.1007044), wk = 0.0037175 k( 224) = ( 0.5000000 0.5000000 -0.1121129), wk = 0.0037175 k( 225) = ( 0.5000000 0.5000000 -0.1235213), wk = 0.0037175 k( 226) = ( 0.5000000 0.5000000 -0.1349298), wk = 0.0037175 k( 227) = ( 0.5000000 0.5000000 -0.1463382), wk = 0.0037175 k( 228) = ( 0.5000000 0.5000000 -0.1577467), wk = 0.0037175 k( 229) = ( 0.5000000 0.5000000 -0.1691551), wk = 0.0037175 k( 230) = ( 0.5000000 0.5000000 -0.1805636), wk = 0.0037175 k( 231) = ( 0.5000000 0.5000000 -0.1919720), wk = 0.0037175 k( 232) = ( 0.5000000 0.5000000 -0.2033804), wk = 0.0037175 k( 233) = ( 0.5000000 0.5000000 -0.2147889), wk = 0.0037175 k( 234) = ( 0.5000000 0.5000000 -0.2261973), wk = 0.0037175 k( 235) = ( 0.5000000 0.5000000 -0.2376058), wk = 0.0037175 k( 236) = ( 0.5000000 0.5000000 -0.2490142), wk = 0.0037175 k( 237) = ( 0.5000000 0.5000000 -0.2604227), wk = 0.0037175 k( 238) = ( 0.5000000 0.5000000 -0.2718311), wk = 0.0037175 k( 239) = ( 0.5000000 0.5000000 -0.2832396), wk = 0.0037175 k( 240) = ( 0.5000000 0.5000000 -0.2946480), wk = 0.0037175 k( 241) = ( 0.5000000 0.5000000 -0.3060564), wk = 0.0037175 k( 242) = ( 0.5000000 0.5000000 -0.3174649), wk = 0.0037175 k( 243) = ( 0.5000000 0.5000000 -0.3288733), wk = 0.0037175 k( 244) = ( 0.5000000 0.5000000 -0.3402818), wk = 0.0037175 k( 245) = ( 0.5000000 0.5000000 -0.3516902), wk = 0.0037175 k( 246) = ( 0.5000000 0.5000000 -0.3630987), wk = 0.0037175 k( 247) = ( 0.5000000 0.5000000 -0.3745071), wk = 0.0037175 k( 248) = ( 0.5000000 0.5000000 -0.3859156), wk = 0.0037175 k( 249) = ( 0.5000000 0.5000000 -0.3973240), wk = 0.0037175 k( 250) = ( 0.5000000 0.5000000 -0.4087324), wk = 0.0037175 k( 251) = ( 0.5000000 0.5000000 -0.4201409), wk = 0.0037175 k( 252) = ( 0.5000000 0.5000000 -0.4315493), wk = 0.0037175 k( 253) = ( 0.5000000 0.5000000 -0.4429578), wk = 0.0037175 k( 254) = ( 0.5000000 0.5000000 -0.4543662), wk = 0.0037175 k( 255) = ( 0.5000000 0.5000000 -0.4657747), wk = 0.0037175 k( 256) = ( 0.5000000 0.5000000 -0.4771831), wk = 0.0037175 k( 257) = ( 0.5000000 0.5000000 -0.4885916), wk = 0.0037175 k( 258) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0037175 k( 259) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037175 k( 260) = ( 0.0250000 0.0250000 0.4750000), wk = 0.0037175 k( 261) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0037175 k( 262) = ( 0.0750000 0.0750000 0.4250000), wk = 0.0037175 k( 263) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0037175 k( 264) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0037175 k( 265) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0037175 k( 266) = ( 0.1750000 0.1750000 0.3250000), wk = 0.0037175 k( 267) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0037175 k( 268) = ( 0.2250000 0.2250000 0.2750000), wk = 0.0037175 k( 269) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0037175 Dense grid: 69853 G-vectors FFT dimensions: ( 80, 80, 80) Smooth grid: 48649 G-vectors FFT dimensions: ( 72, 72, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.33 Mb ( 362, 60) NL pseudopotentials 0.46 Mb ( 181, 168) Each V/rho on FFT grid 0.29 Mb ( 19200) Each G-vector array 0.01 Mb ( 1940) G-vector shells 0.01 Mb ( 913) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.33 Mb ( 362, 240) Each subspace H/S matrix 0.05 Mb ( 60, 60) Each matrix 0.31 Mb ( 168, 2, 60) The potential is recalculated from file : ./Ba2As.save/charge-density.dat Starting wfc are 56 randomized atomic wfcs + 4 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.2 secs Computing kpt #: 2 total cpu time spent up to now is 4.4 secs Computing kpt #: 3 total cpu time spent up to now is 5.7 secs Computing kpt #: 4 total cpu time spent up to now is 7.0 secs Computing kpt #: 5 total cpu time spent up to now is 8.3 secs Computing kpt #: 6 total cpu time spent up to now is 9.5 secs Computing kpt #: 7 total cpu time spent up to now is 10.7 secs Computing kpt #: 8 total cpu time spent up to now is 11.9 secs Computing kpt #: 9 total cpu time spent up to now is 13.0 secs Computing kpt #: 10 total cpu time spent up to now is 14.0 secs Computing kpt #: 11 total cpu time spent up to now is 15.1 secs Computing kpt #: 12 total cpu time spent up to now is 16.3 secs Computing kpt #: 13 total cpu time spent up to now is 17.5 secs Computing kpt #: 14 total cpu time spent up to now is 18.7 secs Computing kpt #: 15 total cpu time spent up to now is 19.9 secs Computing kpt #: 16 total cpu time spent up to now is 21.1 secs Computing kpt #: 17 total cpu time spent up to now is 22.3 secs Computing kpt #: 18 total cpu time spent up to now is 23.5 secs Computing kpt #: 19 total cpu time spent up to now is 24.8 secs Computing kpt #: 20 total cpu time spent up to now is 26.1 secs Computing kpt #: 21 total cpu time spent up to now is 27.8 secs Computing kpt #: 22 total cpu time spent up to now is 29.1 secs Computing kpt #: 23 total cpu time spent up to now is 30.5 secs Computing kpt #: 24 total cpu time spent up to now is 31.7 secs Computing kpt #: 25 total cpu time spent up to now is 33.0 secs Computing kpt #: 26 total cpu time spent up to now is 34.3 secs Computing kpt #: 27 total cpu time spent up to now is 35.5 secs Computing kpt #: 28 total cpu time spent up to now is 36.5 secs Computing kpt #: 29 total cpu time spent up to now is 37.6 secs Computing kpt #: 30 total cpu time spent up to now is 38.6 secs Computing kpt #: 31 total cpu time spent up to now is 39.7 secs Computing kpt #: 32 total cpu time spent up to now is 40.7 secs Computing kpt #: 33 total cpu time spent up to now is 41.7 secs Computing kpt #: 34 total cpu time spent up to now is 42.8 secs Computing kpt #: 35 total cpu time spent up to now is 43.8 secs Computing kpt #: 36 total cpu time spent up to now is 44.8 secs Computing kpt #: 37 total cpu time spent up to now is 45.9 secs Computing kpt #: 38 total cpu time spent up to now is 46.9 secs Computing kpt #: 39 total cpu time spent up to now is 47.9 secs Computing kpt #: 40 total cpu time spent up to now is 49.0 secs Computing kpt #: 41 total cpu time spent up to now is 50.0 secs Computing kpt #: 42 total cpu time spent up to now is 51.0 secs Computing kpt #: 43 total cpu time spent up to now is 52.1 secs Computing kpt #: 44 total cpu time spent up to now is 53.3 secs Computing kpt #: 45 total cpu time spent up to now is 54.4 secs Computing kpt #: 46 total cpu time spent up to now is 55.6 secs Computing kpt #: 47 total cpu time spent up to now is 56.7 secs Computing kpt #: 48 total cpu time spent up to now is 57.9 secs Computing kpt #: 49 total cpu time spent up to now is 58.9 secs Computing kpt #: 50 total cpu time spent up to now is 60.1 secs Computing kpt #: 51 total cpu time spent up to now is 61.3 secs Computing kpt #: 52 total cpu time spent up to now is 62.6 secs Computing kpt #: 53 total cpu time spent up to now is 63.6 secs Computing kpt #: 54 total cpu time spent up to now is 64.9 secs Computing kpt #: 55 total cpu time spent up to now is 66.1 secs Computing kpt #: 56 total cpu time spent up to now is 67.3 secs Computing kpt #: 57 total cpu time spent up to now is 68.5 secs Computing kpt #: 58 total cpu time spent up to now is 69.7 secs Computing kpt #: 59 total cpu time spent up to now is 70.9 secs Computing kpt #: 60 total cpu time spent up to now is 72.2 secs Computing kpt #: 61 total cpu time spent up to now is 73.4 secs Computing kpt #: 62 total cpu time spent up to now is 74.5 secs Computing kpt #: 63 total cpu time spent up to now is 75.5 secs Computing kpt #: 64 total cpu time spent up to now is 76.5 secs Computing kpt #: 65 total cpu time spent up to now is 77.6 secs Computing kpt #: 66 total cpu time spent up to now is 78.6 secs Computing kpt #: 67 total cpu time spent up to now is 79.6 secs Computing kpt #: 68 total cpu time spent up to now is 80.6 secs Computing kpt #: 69 total cpu time spent up to now is 81.6 secs Computing kpt #: 70 total cpu time spent up to now is 82.6 secs Computing kpt #: 71 total cpu time spent up to now is 83.6 secs Computing kpt #: 72 total cpu time spent up to now is 84.7 secs Computing kpt #: 73 total cpu time spent up to now is 85.9 secs Computing kpt #: 74 total cpu time spent up to now is 87.0 secs Computing kpt #: 75 total cpu time spent up to now is 88.1 secs Computing kpt #: 76 total cpu time spent up to now is 89.1 secs Computing kpt #: 77 total cpu time spent up to now is 90.1 secs Computing kpt #: 78 total cpu time spent up to now is 91.2 secs Computing kpt #: 79 total cpu time spent up to now is 92.2 secs Computing kpt #: 80 total cpu time spent up to now is 93.3 secs Computing kpt #: 81 total cpu time spent up to now is 94.3 secs Computing kpt #: 82 total cpu time spent up to now is 95.4 secs Computing kpt #: 83 total cpu time spent up to now is 96.5 secs Computing kpt #: 84 total cpu time spent up to now is 97.7 secs Computing kpt #: 85 total cpu time spent up to now is 98.9 secs Computing kpt #: 86 total cpu time spent up to now is 99.9 secs Computing kpt #: 87 total cpu time spent up to now is 101.2 secs Computing kpt #: 88 total cpu time spent up to now is 102.4 secs Computing kpt #: 89 total cpu time spent up to now is 103.6 secs Computing kpt #: 90 total cpu time spent up to now is 104.8 secs Computing kpt #: 91 total cpu time spent up to now is 105.9 secs Computing kpt #: 92 total cpu time spent up to now is 106.9 secs Computing kpt #: 93 total cpu time spent up to now is 108.1 secs Computing kpt #: 94 total cpu time spent up to now is 109.4 secs Computing kpt #: 95 total cpu time spent up to now is 110.6 secs Computing kpt #: 96 total cpu time spent up to now is 111.8 secs Computing kpt #: 97 total cpu time spent up to now is 113.0 secs Computing kpt #: 98 total cpu time spent up to now is 114.2 secs Computing kpt #: 99 total cpu time spent up to now is 115.5 secs Computing kpt #: 100 total cpu time spent up to now is 116.7 secs Computing kpt #: 101 total cpu time spent up to now is 118.0 secs Computing kpt #: 102 total cpu time spent up to now is 119.3 secs Computing kpt #: 103 total cpu time spent up to now is 120.6 secs Computing kpt #: 104 total cpu time spent up to now is 121.9 secs Computing kpt #: 105 total cpu time spent up to now is 123.1 secs Computing kpt #: 106 total cpu time spent up to now is 124.3 secs Computing kpt #: 107 total cpu time spent up to now is 125.5 secs Computing kpt #: 108 total cpu time spent up to now is 126.8 secs Computing kpt #: 109 total cpu time spent up to now is 128.1 secs Computing kpt #: 110 total cpu time spent up to now is 129.4 secs Computing kpt #: 111 total cpu time spent up to now is 130.8 secs Computing kpt #: 112 total cpu time spent up to now is 132.0 secs Computing kpt #: 113 total cpu time spent up to now is 133.2 secs Computing kpt #: 114 total cpu time spent up to now is 134.3 secs Computing kpt #: 115 total cpu time spent up to now is 135.4 secs Computing kpt #: 116 total cpu time spent up to now is 136.5 secs Computing kpt #: 117 total cpu time spent up to now is 137.7 secs Computing kpt #: 118 total cpu time spent up to now is 138.8 secs Computing kpt #: 119 total cpu time spent up to now is 140.0 secs Computing kpt #: 120 total cpu time spent up to now is 141.2 secs Computing kpt #: 121 total cpu time spent up to now is 142.4 secs Computing kpt #: 122 total cpu time spent up to now is 143.6 secs Computing kpt #: 123 total cpu time spent up to now is 144.8 secs Computing kpt #: 124 total cpu time spent up to now is 146.0 secs Computing kpt #: 125 total cpu time spent up to now is 147.2 secs Computing kpt #: 126 total cpu time spent up to now is 148.4 secs Computing kpt #: 127 total cpu time spent up to now is 149.6 secs Computing kpt #: 128 total cpu time spent up to now is 150.8 secs Computing kpt #: 129 total cpu time spent up to now is 152.0 secs Computing kpt #: 130 total cpu time spent up to now is 153.2 secs Computing kpt #: 131 total cpu time spent up to now is 154.4 secs Computing kpt #: 132 total cpu time spent up to now is 155.6 secs Computing kpt #: 133 total cpu time spent up to now is 157.1 secs Computing kpt #: 134 total cpu time spent up to now is 158.7 secs Computing kpt #: 135 total cpu time spent up to now is 160.3 secs Computing kpt #: 136 total cpu time spent up to now is 161.5 secs Computing kpt #: 137 total cpu time spent up to now is 162.7 secs Computing kpt #: 138 total cpu time spent up to now is 163.9 secs Computing kpt #: 139 total cpu time spent up to now is 165.2 secs Computing kpt #: 140 total cpu time spent up to now is 166.4 secs Computing kpt #: 141 total cpu time spent up to now is 167.6 secs Computing kpt #: 142 total cpu time spent up to now is 168.6 secs Computing kpt #: 143 total cpu time spent up to now is 169.8 secs Computing kpt #: 144 total cpu time spent up to now is 171.1 secs Computing kpt #: 145 total cpu time spent up to now is 172.3 secs Computing kpt #: 146 total cpu time spent up to now is 173.5 secs Computing kpt #: 147 total cpu time spent up to now is 174.7 secs Computing kpt #: 148 total cpu time spent up to now is 175.9 secs Computing kpt #: 149 total cpu time spent up to now is 177.1 secs Computing kpt #: 150 total cpu time spent up to now is 178.2 secs Computing kpt #: 151 total cpu time spent up to now is 179.3 secs Computing kpt #: 152 total cpu time spent up to now is 180.3 secs Computing kpt #: 153 total cpu time spent up to now is 181.4 secs Computing kpt #: 154 total cpu time spent up to now is 182.5 secs Computing kpt #: 155 total cpu time spent up to now is 183.5 secs Computing kpt #: 156 total cpu time spent up to now is 184.6 secs Computing kpt #: 157 total cpu time spent up to now is 185.6 secs Computing kpt #: 158 total cpu time spent up to now is 186.7 secs Computing kpt #: 159 total cpu time spent up to now is 187.7 secs Computing kpt #: 160 total cpu time spent up to now is 188.8 secs Computing kpt #: 161 total cpu time spent up to now is 189.8 secs Computing kpt #: 162 total cpu time spent up to now is 190.9 secs Computing kpt #: 163 total cpu time spent up to now is 191.9 secs Computing kpt #: 164 total cpu time spent up to now is 193.0 secs Computing kpt #: 165 total cpu time spent up to now is 194.1 secs Computing kpt #: 166 total cpu time spent up to now is 195.1 secs Computing kpt #: 167 total cpu time spent up to now is 196.2 secs Computing kpt #: 168 total cpu time spent up to now is 197.2 secs Computing kpt #: 169 total cpu time spent up to now is 198.4 secs Computing kpt #: 170 total cpu time spent up to now is 199.5 secs Computing kpt #: 171 total cpu time spent up to now is 200.6 secs Computing kpt #: 172 total cpu time spent up to now is 201.6 secs Computing kpt #: 173 total cpu time spent up to now is 202.8 secs Computing kpt #: 174 total cpu time spent up to now is 203.9 secs Computing kpt #: 175 total cpu time spent up to now is 205.1 secs Computing kpt #: 176 total cpu time spent up to now is 206.2 secs Computing kpt #: 177 total cpu time spent up to now is 207.2 secs Computing kpt #: 178 total cpu time spent up to now is 208.3 secs Computing kpt #: 179 total cpu time spent up to now is 209.3 secs Computing kpt #: 180 total cpu time spent up to now is 210.4 secs Computing kpt #: 181 total cpu time spent up to now is 211.6 secs Computing kpt #: 182 total cpu time spent up to now is 212.8 secs Computing kpt #: 183 total cpu time spent up to now is 214.0 secs Computing kpt #: 184 total cpu time spent up to now is 215.2 secs Computing kpt #: 185 total cpu time spent up to now is 216.3 secs Computing kpt #: 186 total cpu time spent up to now is 217.4 secs Computing kpt #: 187 total cpu time spent up to now is 218.4 secs Computing kpt #: 188 total cpu time spent up to now is 219.5 secs Computing kpt #: 189 total cpu time spent up to now is 220.6 secs Computing kpt #: 190 total cpu time spent up to now is 221.6 secs Computing kpt #: 191 total cpu time spent up to now is 222.7 secs Computing kpt #: 192 total cpu time spent up to now is 223.8 secs Computing kpt #: 193 total cpu time spent up to now is 224.8 secs Computing kpt #: 194 total cpu time spent up to now is 225.8 secs Computing kpt #: 195 total cpu time spent up to now is 226.8 secs Computing kpt #: 196 total cpu time spent up to now is 227.9 secs Computing kpt #: 197 total cpu time spent up to now is 228.9 secs Computing kpt #: 198 total cpu time spent up to now is 229.9 secs Computing kpt #: 199 total cpu time spent up to now is 231.0 secs Computing kpt #: 200 total cpu time spent up to now is 232.0 secs Computing kpt #: 201 total cpu time spent up to now is 233.1 secs Computing kpt #: 202 total cpu time spent up to now is 234.1 secs Computing kpt #: 203 total cpu time spent up to now is 235.1 secs Computing kpt #: 204 total cpu time spent up to now is 236.2 secs Computing kpt #: 205 total cpu time spent up to now is 237.2 secs Computing kpt #: 206 total cpu time spent up to now is 238.4 secs Computing kpt #: 207 total cpu time spent up to now is 239.5 secs Computing kpt #: 208 total cpu time spent up to now is 240.7 secs Computing kpt #: 209 total cpu time spent up to now is 241.8 secs Computing kpt #: 210 total cpu time spent up to now is 242.9 secs Computing kpt #: 211 total cpu time spent up to now is 244.0 secs Computing kpt #: 212 total cpu time spent up to now is 245.2 secs Computing kpt #: 213 total cpu time spent up to now is 246.4 secs Computing kpt #: 214 total cpu time spent up to now is 247.6 secs Computing kpt #: 215 total cpu time spent up to now is 248.7 secs Computing kpt #: 216 total cpu time spent up to now is 249.8 secs Computing kpt #: 217 total cpu time spent up to now is 251.0 secs Computing kpt #: 218 total cpu time spent up to now is 252.2 secs Computing kpt #: 219 total cpu time spent up to now is 253.4 secs Computing kpt #: 220 total cpu time spent up to now is 254.6 secs Computing kpt #: 221 total cpu time spent up to now is 255.8 secs Computing kpt #: 222 total cpu time spent up to now is 257.1 secs Computing kpt #: 223 total cpu time spent up to now is 258.3 secs Computing kpt #: 224 total cpu time spent up to now is 259.5 secs Computing kpt #: 225 total cpu time spent up to now is 260.7 secs Computing kpt #: 226 total cpu time spent up to now is 262.0 secs Computing kpt #: 227 total cpu time spent up to now is 263.2 secs Computing kpt #: 228 total cpu time spent up to now is 264.4 secs Computing kpt #: 229 total cpu time spent up to now is 265.6 secs Computing kpt #: 230 total cpu time spent up to now is 266.8 secs Computing kpt #: 231 total cpu time spent up to now is 268.1 secs Computing kpt #: 232 total cpu time spent up to now is 269.3 secs Computing kpt #: 233 total cpu time spent up to now is 270.6 secs Computing kpt #: 234 total cpu time spent up to now is 272.0 secs Computing kpt #: 235 total cpu time spent up to now is 273.3 secs Computing kpt #: 236 total cpu time spent up to now is 274.5 secs Computing kpt #: 237 total cpu time spent up to now is 275.7 secs Computing kpt #: 238 total cpu time spent up to now is 276.9 secs Computing kpt #: 239 total cpu time spent up to now is 278.0 secs Computing kpt #: 240 total cpu time spent up to now is 279.2 secs Computing kpt #: 241 total cpu time spent up to now is 280.4 secs Computing kpt #: 242 total cpu time spent up to now is 281.6 secs Computing kpt #: 243 total cpu time spent up to now is 282.7 secs Computing kpt #: 244 total cpu time spent up to now is 283.9 secs Computing kpt #: 245 total cpu time spent up to now is 285.1 secs Computing kpt #: 246 total cpu time spent up to now is 286.4 secs Computing kpt #: 247 total cpu time spent up to now is 287.6 secs Computing kpt #: 248 total cpu time spent up to now is 288.8 secs Computing kpt #: 249 total cpu time spent up to now is 290.0 secs Computing kpt #: 250 total cpu time spent up to now is 291.2 secs Computing kpt #: 251 total cpu time spent up to now is 292.5 secs Computing kpt #: 252 total cpu time spent up to now is 293.7 secs Computing kpt #: 253 total cpu time spent up to now is 294.9 secs Computing kpt #: 254 total cpu time spent up to now is 296.1 secs Computing kpt #: 255 total cpu time spent up to now is 297.4 secs Computing kpt #: 256 total cpu time spent up to now is 298.6 secs Computing kpt #: 257 total cpu time spent up to now is 299.8 secs Computing kpt #: 258 total cpu time spent up to now is 301.4 secs Computing kpt #: 259 total cpu time spent up to now is 302.4 secs Computing kpt #: 260 total cpu time spent up to now is 303.4 secs Computing kpt #: 261 total cpu time spent up to now is 304.6 secs Computing kpt #: 262 total cpu time spent up to now is 305.9 secs Computing kpt #: 263 total cpu time spent up to now is 306.9 secs Computing kpt #: 264 total cpu time spent up to now is 308.0 secs Computing kpt #: 265 total cpu time spent up to now is 309.2 secs Computing kpt #: 266 total cpu time spent up to now is 310.4 secs Computing kpt #: 267 total cpu time spent up to now is 311.5 secs Computing kpt #: 268 total cpu time spent up to now is 312.6 secs Computing kpt #: 269 total cpu time spent up to now is 313.8 secs ethr = 2.00E-08, avg # of iterations = 21.9 total cpu time spent up to now is 313.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6137 PWs) bands (ev): -20.4230 -20.4230 -20.3721 -20.3721 -20.2600 -20.2600 -19.9772 -19.9772 -7.1833 -7.1833 -7.0841 -7.0841 -7.0768 -7.0768 -6.5923 -6.5923 -5.5026 -5.5026 -5.1503 -5.1503 -5.1262 -5.1262 -5.0571 -5.0571 -4.9646 -4.9646 -4.7881 -4.7881 -4.5380 -4.5380 -4.1927 -4.1927 -1.6037 -1.6037 -1.1730 -1.1730 5.4078 5.4078 6.4562 6.4562 6.6138 6.6138 6.6628 6.6628 6.8947 6.8947 7.1749 7.1749 7.2482 7.2482 8.2910 8.2910 8.4672 8.4672 8.8494 8.8494 8.9081 8.9081 8.9939 8.9939 k = 0.0000 0.0000 0.0295 ( 6105 PWs) bands (ev): -20.4229 -20.4229 -20.3721 -20.3721 -20.2598 -20.2598 -19.9774 -19.9774 -7.1829 -7.1829 -7.0842 -7.0842 -7.0767 -7.0767 -6.5926 -6.5926 -5.5021 -5.5021 -5.1508 -5.1508 -5.1261 -5.1261 -5.0570 -5.0570 -4.9646 -4.9646 -4.7881 -4.7881 -4.5385 -4.5385 -4.1939 -4.1939 -1.6027 -1.6027 -1.1730 -1.1730 5.4095 5.4095 6.4548 6.4548 6.6117 6.6117 6.6652 6.6652 6.8952 6.8952 7.1705 7.1705 7.2420 7.2420 8.2947 8.2947 8.4659 8.4659 8.8577 8.8577 8.9136 8.9136 8.9943 8.9943 k = 0.0000 0.0000 0.0589 ( 6099 PWs) bands (ev): -20.4227 -20.4227 -20.3722 -20.3722 -20.2594 -20.2594 -19.9780 -19.9780 -7.1819 -7.1819 -7.0846 -7.0846 -7.0765 -7.0765 -6.5935 -6.5935 -5.5007 -5.5007 -5.1523 -5.1523 -5.1257 -5.1257 -5.0567 -5.0567 -4.9644 -4.9644 -4.7881 -4.7881 -4.5398 -4.5398 -4.1973 -4.1973 -1.5996 -1.5996 -1.1731 -1.1731 5.4146 5.4146 6.4505 6.4505 6.6059 6.6059 6.6724 6.6724 6.8961 6.8961 7.1572 7.1572 7.2250 7.2250 8.3055 8.3055 8.4625 8.4625 8.8820 8.8820 8.9299 8.9299 8.9913 8.9913 k = 0.0000 0.0000 0.0884 ( 6103 PWs) bands (ev): -20.4223 -20.4223 -20.3722 -20.3722 -20.2587 -20.2587 -19.9790 -19.9790 -7.1802 -7.1802 -7.0852 -7.0852 -7.0761 -7.0761 -6.5950 -6.5950 -5.4984 -5.4984 -5.1547 -5.1547 -5.1251 -5.1251 -5.0563 -5.0563 -4.9641 -4.9641 -4.7881 -4.7881 -4.5421 -4.5421 -4.2029 -4.2029 -1.5944 -1.5944 -1.1732 -1.1732 5.4231 5.4231 6.4425 6.4425 6.5981 6.5981 6.6841 6.6841 6.8956 6.8956 7.1348 7.1348 7.2008 7.2008 8.3228 8.3228 8.4573 8.4573 8.9205 8.9205 8.9565 8.9565 8.9795 8.9795 k = 0.0000 0.0000 0.1179 ( 6103 PWs) bands (ev): -20.4218 -20.4218 -20.3723 -20.3723 -20.2577 -20.2577 -19.9803 -19.9803 -7.1779 -7.1779 -7.0859 -7.0859 -7.0757 -7.0757 -6.5972 -6.5972 -5.4951 -5.4951 -5.1580 -5.1580 -5.1242 -5.1242 -5.0557 -5.0557 -4.9638 -4.9638 -4.7881 -4.7881 -4.5453 -4.5453 -4.2105 -4.2105 -1.5874 -1.5874 -1.1734 -1.1734 5.4349 5.4349 6.4304 6.4304 6.5902 6.5902 6.6994 6.6994 6.8910 6.8910 7.1048 7.1048 7.1733 7.1733 8.3457 8.3457 8.4514 8.4514 8.9600 8.9600 8.9704 8.9704 8.9932 8.9932 k = 0.0000 0.0000 0.1474 ( 6093 PWs) bands (ev): -20.4212 -20.4212 -20.3724 -20.3724 -20.2564 -20.2564 -19.9821 -19.9821 -7.1750 -7.1750 -7.0866 -7.0866 -7.0753 -7.0753 -6.5999 -6.5999 -5.4910 -5.4910 -5.1620 -5.1620 -5.1232 -5.1232 -5.0551 -5.0551 -4.9632 -4.9632 -4.7880 -4.7880 -4.5497 -4.5497 -4.2197 -4.2197 -1.5784 -1.5784 -1.1737 -1.1737 5.4499 5.4499 6.4135 6.4135 6.5838 6.5838 6.7165 6.7165 6.8797 6.8797 7.0715 7.0715 7.1449 7.1449 8.3736 8.3736 8.4456 8.4456 8.9363 8.9363 9.0276 9.0276 9.0395 9.0395 k = 0.0000 0.0000 0.1768 ( 6105 PWs) bands (ev): -20.4205 -20.4205 -20.3725 -20.3725 -20.2548 -20.2548 -19.9842 -19.9842 -7.1716 -7.1716 -7.0875 -7.0875 -7.0749 -7.0749 -6.6034 -6.6034 -5.4859 -5.4859 -5.1667 -5.1667 -5.1221 -5.1221 -5.0545 -5.0545 -4.9626 -4.9626 -4.7878 -4.7878 -4.5552 -4.5552 -4.2304 -4.2304 -1.5678 -1.5678 -1.1741 -1.1741 5.4680 5.4680 6.3923 6.3923 6.5797 6.5797 6.7302 6.7302 6.8625 6.8625 7.0405 7.0405 7.1167 7.1167 8.4061 8.4061 8.4406 8.4406 8.9106 8.9106 9.0866 9.0866 9.0960 9.0960 k = 0.0000 0.0000 0.2063 ( 6109 PWs) bands (ev): -20.4196 -20.4196 -20.3727 -20.3727 -20.2530 -20.2530 -19.9866 -19.9866 -7.1678 -7.1678 -7.0883 -7.0883 -7.0744 -7.0744 -6.6075 -6.6075 -5.4798 -5.4798 -5.1721 -5.1721 -5.1208 -5.1208 -5.0539 -5.0539 -4.9619 -4.9619 -4.7875 -4.7875 -4.5622 -4.5622 -4.2420 -4.2420 -1.5556 -1.5556 -1.1748 -1.1748 5.4892 5.4892 6.3676 6.3676 6.5781 6.5781 6.7275 6.7275 6.8504 6.8504 7.0146 7.0146 7.0898 7.0898 8.4372 8.4372 8.4429 8.4429 8.8845 8.8845 9.1470 9.1470 9.1575 9.1575 k = 0.0000 0.0000 0.2358 ( 6113 PWs) bands (ev): -20.4186 -20.4186 -20.3728 -20.3728 -20.2508 -20.2508 -19.9894 -19.9894 -7.1636 -7.1636 -7.0891 -7.0891 -7.0740 -7.0740 -6.6123 -6.6123 -5.4729 -5.4729 -5.1780 -5.1780 -5.1193 -5.1193 -5.0533 -5.0533 -4.9610 -4.9610 -4.7870 -4.7870 -4.5706 -4.5706 -4.2541 -4.2541 -1.5419 -1.5419 -1.1757 -1.1757 5.5133 5.5133 6.3405 6.3405 6.5784 6.5784 6.6962 6.6962 6.8560 6.8560 6.9938 6.9938 7.0654 7.0654 8.4359 8.4359 8.4839 8.4839 8.8590 8.8590 9.2064 9.2064 9.2201 9.2201 k = 0.0000 0.0000 0.2652 ( 6123 PWs) bands (ev): -20.4175 -20.4175 -20.3730 -20.3730 -20.2485 -20.2485 -19.9926 -19.9926 -7.1592 -7.1592 -7.0899 -7.0899 -7.0736 -7.0736 -6.6178 -6.6178 -5.4652 -5.4652 -5.1845 -5.1845 -5.1177 -5.1177 -5.0527 -5.0527 -4.9600 -4.9600 -4.7862 -4.7862 -4.5807 -4.5807 -4.2664 -4.2664 -1.5270 -1.5270 -1.1769 -1.1769 5.5402 5.5402 6.3120 6.3120 6.5796 6.5796 6.6460 6.6460 6.8670 6.8670 6.9819 6.9819 7.0449 7.0449 8.4371 8.4371 8.5290 8.5290 8.8350 8.8350 9.2530 9.2530 9.2898 9.2898 k = 0.0000 0.0000 0.2947 ( 6131 PWs) bands (ev): -20.4164 -20.4164 -20.3732 -20.3732 -20.2458 -20.2458 -19.9960 -19.9960 -7.1546 -7.1546 -7.0906 -7.0906 -7.0731 -7.0731 -6.6241 -6.6241 -5.4566 -5.4566 -5.1916 -5.1916 -5.1160 -5.1160 -5.0522 -5.0522 -4.9589 -4.9589 -4.7851 -4.7851 -4.5925 -4.5925 -4.2784 -4.2784 -1.5111 -1.5111 -1.1785 -1.1785 5.5697 5.5697 6.2832 6.2832 6.5713 6.5713 6.5981 6.5981 6.8628 6.8628 6.9860 6.9860 7.0314 7.0314 8.4411 8.4411 8.5780 8.5780 8.8126 8.8126 9.2860 9.2860 9.3651 9.3651 k = 0.0000 0.0000 0.3242 ( 6139 PWs) bands (ev): -20.4151 -20.4151 -20.3734 -20.3734 -20.2429 -20.2429 -19.9998 -19.9998 -7.1500 -7.1500 -7.0912 -7.0912 -7.0725 -7.0725 -6.6312 -6.6312 -5.4472 -5.4472 -5.1991 -5.1991 -5.1141 -5.1141 -5.0518 -5.0518 -4.9578 -4.9578 -4.7837 -4.7837 -4.6061 -4.6061 -4.2897 -4.2897 -1.4943 -1.4943 -1.1805 -1.1805 5.6016 5.6016 6.2548 6.2548 6.5177 6.5177 6.5935 6.5935 6.8400 6.8400 6.9868 6.9868 7.0433 7.0433 8.4481 8.4481 8.6305 8.6305 8.7918 8.7918 9.3088 9.3088 9.4434 9.4434 k = 0.0000 0.0000 0.3536 ( 6143 PWs) bands (ev): -20.4138 -20.4138 -20.3737 -20.3737 -20.2398 -20.2398 -20.0038 -20.0038 -7.1456 -7.1456 -7.0918 -7.0918 -7.0719 -7.0719 -6.6391 -6.6391 -5.4372 -5.4372 -5.2071 -5.2071 -5.1121 -5.1121 -5.0512 -5.0512 -4.9566 -4.9566 -4.7818 -4.7818 -4.6215 -4.6215 -4.3000 -4.3000 -1.4768 -1.4768 -1.1831 -1.1831 5.6358 5.6358 6.2276 6.2276 6.4558 6.4558 6.5980 6.5980 6.8075 6.8075 6.9712 6.9712 7.0831 7.0831 8.4580 8.4580 8.6862 8.6862 8.7723 8.7723 9.3253 9.3253 9.5230 9.5230 k = 0.0000 0.0000 0.3831 ( 6135 PWs) bands (ev): -20.4124 -20.4124 -20.3739 -20.3739 -20.2364 -20.2364 -20.0080 -20.0080 -7.1414 -7.1414 -7.0922 -7.0922 -7.0711 -7.0711 -6.6479 -6.6479 -5.4266 -5.4266 -5.2155 -5.2155 -5.1099 -5.1099 -5.0506 -5.0506 -4.9553 -4.9553 -4.7795 -4.7795 -4.6384 -4.6384 -4.3090 -4.3090 -1.4588 -1.4588 -1.1861 -1.1861 5.6722 5.6722 6.2021 6.2021 6.3946 6.3946 6.6039 6.6039 6.7707 6.7707 6.9503 6.9503 7.1333 7.1333 8.4711 8.4711 8.7436 8.7436 8.7545 8.7545 9.3381 9.3381 9.6022 9.6022 k = 0.0000 0.0000 0.4126 ( 6139 PWs) bands (ev): -20.4110 -20.4110 -20.3742 -20.3742 -20.2328 -20.2328 -20.0125 -20.0125 -7.1375 -7.1375 -7.0925 -7.0925 -7.0702 -7.0702 -6.6575 -6.6575 -5.4156 -5.4156 -5.2244 -5.2244 -5.1077 -5.1077 -5.0499 -5.0499 -4.9540 -4.9540 -4.7767 -4.7767 -4.6565 -4.6565 -4.3168 -4.3168 -1.4405 -1.4405 -1.1898 -1.1898 5.7104 5.7104 6.1788 6.1788 6.3357 6.3357 6.6103 6.6103 6.7320 6.7320 6.9268 6.9268 7.1888 7.1888 8.4872 8.4872 8.7345 8.7345 8.8054 8.8054 9.3490 9.3490 9.6809 9.6809 k = 0.0000 0.0000 0.4421 ( 6141 PWs) bands (ev): -20.4096 -20.4096 -20.3745 -20.3745 -20.2289 -20.2289 -20.0172 -20.0172 -7.1341 -7.1341 -7.0927 -7.0927 -7.0690 -7.0690 -6.6680 -6.6680 -5.4042 -5.4042 -5.2336 -5.2336 -5.1053 -5.1053 -5.0489 -5.0489 -4.9527 -4.9527 -4.7735 -4.7735 -4.6754 -4.6754 -4.3231 -4.3231 -1.4221 -1.4221 -1.1942 -1.1942 5.7504 5.7504 6.1582 6.1582 6.2801 6.2801 6.6171 6.6171 6.6925 6.6925 6.9014 6.9014 7.2478 7.2478 8.5062 8.5062 8.7154 8.7154 8.8673 8.8673 9.3589 9.3589 9.7599 9.7599 k = 0.0000 0.0000 0.4715 ( 6125 PWs) bands (ev): -20.4081 -20.4081 -20.3748 -20.3748 -20.2249 -20.2249 -20.0220 -20.0220 -7.1312 -7.1312 -7.0928 -7.0928 -7.0676 -7.0676 -6.6794 -6.6794 -5.3927 -5.3927 -5.2431 -5.2431 -5.1030 -5.1030 -5.0477 -5.0477 -4.9515 -4.9515 -4.7706 -4.7706 -4.6940 -4.6940 -4.3282 -4.3282 -1.4037 -1.4037 -1.1993 -1.1993 5.7918 5.7918 6.1408 6.1408 6.2282 6.2282 6.6238 6.6238 6.6530 6.6530 6.8744 6.8744 7.3092 7.3092 8.5279 8.5279 8.6953 8.6953 8.9297 8.9297 9.3682 9.3682 9.8397 9.8397 k = 0.0000 0.0000 0.5010 ( 6121 PWs) bands (ev): -20.4066 -20.4066 -20.3751 -20.3751 -20.2207 -20.2207 -20.0270 -20.0270 -7.1289 -7.1289 -7.0928 -7.0928 -7.0659 -7.0659 -6.6917 -6.6917 -5.3812 -5.3812 -5.2530 -5.2530 -5.1006 -5.1006 -5.0462 -5.0462 -4.9502 -4.9502 -4.7693 -4.7693 -4.7105 -4.7105 -4.3319 -4.3319 -1.3857 -1.3857 -1.2051 -1.2051 5.8344 5.8344 6.1268 6.1268 6.1806 6.1806 6.6119 6.6119 6.6326 6.6326 6.8463 6.8463 7.3725 7.3725 8.5521 8.5521 8.6737 8.6737 8.9919 8.9919 9.3773 9.3773 9.9202 9.9202 k = 0.0000 0.0000 0.5305 ( 6117 PWs) bands (ev): -20.4051 -20.4051 -20.3754 -20.3754 -20.2164 -20.2164 -20.0321 -20.0321 -7.1272 -7.1272 -7.0926 -7.0926 -7.0641 -7.0641 -6.7049 -6.7049 -5.3698 -5.3698 -5.2630 -5.2630 -5.0982 -5.0982 -5.0444 -5.0444 -4.9489 -4.9489 -4.7731 -4.7731 -4.7208 -4.7208 -4.3346 -4.3346 -1.3680 -1.3680 -1.2117 -1.2117 5.8778 5.8778 6.1165 6.1165 6.1377 6.1377 6.5733 6.5733 6.6391 6.6391 6.8174 6.8174 7.4372 7.4372 8.5783 8.5783 8.6506 8.6506 9.0527 9.0527 9.3860 9.3860 10.0009 10.0009 k = 0.0000 0.0000 0.5599 ( 6105 PWs) bands (ev): -20.4036 -20.4036 -20.3757 -20.3757 -20.2119 -20.2119 -20.0374 -20.0374 -7.1260 -7.1260 -7.0924 -7.0924 -7.0621 -7.0621 -6.7189 -6.7189 -5.3588 -5.3588 -5.2732 -5.2732 -5.0959 -5.0959 -5.0423 -5.0423 -4.9476 -4.9476 -4.7849 -4.7849 -4.7217 -4.7217 -4.3362 -4.3362 -1.3508 -1.3508 -1.2190 -1.2190 5.9214 5.9214 6.0985 6.0985 6.1118 6.1118 6.5349 6.5349 6.6458 6.6458 6.7882 6.7882 7.5028 7.5028 8.6046 8.6046 8.6276 8.6276 9.1113 9.1113 9.3942 9.3942 10.0792 10.0792 k = 0.0000 0.0000 0.5894 ( 6105 PWs) bands (ev): -20.4021 -20.4021 -20.3760 -20.3760 -20.2073 -20.2073 -20.0427 -20.0427 -7.1253 -7.1253 -7.0922 -7.0922 -7.0600 -7.0600 -6.7338 -6.7338 -5.3483 -5.3483 -5.2836 -5.2836 -5.0937 -5.0937 -5.0401 -5.0401 -4.9462 -4.9462 -4.8020 -4.8020 -4.7155 -4.7155 -4.3369 -4.3369 -1.3344 -1.3344 -1.2271 -1.2271 5.9636 5.9636 6.0671 6.0671 6.1104 6.1104 6.4973 6.4973 6.6518 6.6518 6.7595 6.7595 7.5690 7.5690 8.5955 8.5955 8.6398 8.6398 9.1667 9.1667 9.4020 9.4020 10.1447 10.1447 k = 0.0000 0.0000 0.6189 ( 6113 PWs) bands (ev): -20.4006 -20.4006 -20.3763 -20.3763 -20.2026 -20.2026 -20.0480 -20.0480 -7.1250 -7.1250 -7.0918 -7.0918 -7.0579 -7.0579 -6.7494 -6.7494 -5.3384 -5.3384 -5.2939 -5.2939 -5.0915 -5.0915 -5.0377 -5.0377 -4.9449 -4.9449 -4.8210 -4.8210 -4.7050 -4.7050 -4.3368 -4.3368 -1.3188 -1.3188 -1.2358 -1.2358 5.9969 5.9969 6.0479 6.0479 6.1151 6.1151 6.4605 6.4605 6.6556 6.6556 6.7328 6.7328 7.6353 7.6353 8.5673 8.5673 8.6706 8.6706 9.2176 9.2176 9.4096 9.4096 10.1970 10.1970 k = 0.0000 0.0000 0.6484 ( 6103 PWs) bands (ev): -20.3991 -20.3991 -20.3766 -20.3766 -20.1979 -20.1979 -20.0534 -20.0534 -7.1250 -7.1250 -7.0914 -7.0914 -7.0559 -7.0559 -6.7657 -6.7657 -5.3294 -5.3294 -5.3040 -5.3040 -5.0894 -5.0894 -5.0355 -5.0355 -4.9436 -4.9436 -4.8402 -4.8402 -4.6917 -4.6917 -4.3361 -4.3361 -1.3043 -1.3043 -1.2450 -1.2450 5.9968 5.9968 6.0636 6.0636 6.1279 6.1279 6.4248 6.4248 6.6534 6.6534 6.7123 6.7123 7.7013 7.7013 8.5368 8.5368 8.7030 8.7030 9.2622 9.2622 9.4184 9.4184 10.2444 10.2444 k = 0.0000 0.0000 0.6778 ( 6095 PWs) bands (ev): -20.3977 -20.3977 -20.3770 -20.3770 -20.1931 -20.1931 -20.0587 -20.0587 -7.1253 -7.1253 -7.0910 -7.0910 -7.0541 -7.0541 -6.7826 -6.7826 -5.3219 -5.3219 -5.3132 -5.3132 -5.0874 -5.0874 -5.0335 -5.0335 -4.9424 -4.9424 -4.8589 -4.8589 -4.6760 -4.6760 -4.3347 -4.3347 -1.2916 -1.2916 -1.2541 -1.2541 5.9810 5.9810 6.0921 6.0921 6.1524 6.1524 6.3904 6.3904 6.6395 6.6395 6.7036 6.7036 7.7665 7.7665 8.5049 8.5049 8.7361 8.7361 9.2972 9.2972 9.4313 9.4313 10.2893 10.2893 k = 0.0000 0.0000 0.7073 ( 6097 PWs) bands (ev): -20.3963 -20.3963 -20.3773 -20.3773 -20.1882 -20.1882 -20.0640 -20.0640 -7.1259 -7.1259 -7.0905 -7.0905 -7.0525 -7.0525 -6.8001 -6.8001 -5.3256 -5.3256 -5.3118 -5.3118 -5.0854 -5.0854 -5.0319 -5.0319 -4.9414 -4.9414 -4.8766 -4.8766 -4.6583 -4.6583 -4.3328 -4.3328 -1.2831 -1.2831 -1.2604 -1.2604 5.9666 5.9666 6.1164 6.1164 6.1881 6.1881 6.3576 6.3576 6.6161 6.6161 6.7047 6.7047 7.8304 7.8304 8.4720 8.4720 8.7696 8.7696 9.3188 9.3188 9.4526 9.4526 10.3317 10.3317 k = 0.0000 0.0000 0.7368 ( 6104 PWs) bands (ev): -20.3950 -20.3950 -20.3776 -20.3776 -20.1834 -20.1834 -20.0692 -20.0692 -7.1266 -7.1266 -7.0899 -7.0899 -7.0512 -7.0512 -6.8179 -6.8179 -5.3349 -5.3349 -5.3052 -5.3052 -5.0834 -5.0834 -5.0309 -5.0309 -4.9409 -4.9409 -4.8925 -4.8925 -4.6386 -4.6386 -4.3305 -4.3305 -1.2856 -1.2856 -1.2574 -1.2574 5.9557 5.9557 6.1390 6.1390 6.2285 6.2285 6.3277 6.3277 6.5892 6.5892 6.7100 6.7100 7.8924 7.8924 8.4383 8.4383 8.8029 8.8029 9.3270 9.3270 9.4833 9.4833 10.3566 10.3566 k = 0.0000 0.0000 0.7662 ( 6118 PWs) bands (ev): -20.3937 -20.3937 -20.3779 -20.3779 -20.1787 -20.1787 -20.0744 -20.0744 -7.1275 -7.1275 -7.0893 -7.0893 -7.0501 -7.0501 -6.8360 -6.8360 -5.3442 -5.3442 -5.2990 -5.2990 -5.0815 -5.0815 -5.0307 -5.0307 -4.9419 -4.9419 -4.9059 -4.9059 -4.6173 -4.6173 -4.3279 -4.3279 -1.2953 -1.2953 -1.2487 -1.2487 5.9486 5.9486 6.1627 6.1627 6.2609 6.2609 6.3102 6.3102 6.5615 6.5615 6.7167 6.7167 7.9519 7.9519 8.4043 8.4043 8.8357 8.8357 9.3259 9.3259 9.5205 9.5205 10.2999 10.2999 k = 0.0000 0.0000 0.7957 ( 6118 PWs) bands (ev): -20.3924 -20.3924 -20.3782 -20.3782 -20.1740 -20.1740 -20.0794 -20.0794 -7.1284 -7.1284 -7.0886 -7.0886 -7.0493 -7.0493 -6.8543 -6.8543 -5.3531 -5.3531 -5.2933 -5.2933 -5.0797 -5.0797 -5.0314 -5.0314 -4.9456 -4.9456 -4.9150 -4.9150 -4.5946 -4.5946 -4.3250 -4.3250 -1.3069 -1.3069 -1.2394 -1.2394 5.9452 5.9452 6.1869 6.1869 6.2549 6.2549 6.3349 6.3349 6.5340 6.5340 6.7241 6.7241 8.0081 8.0081 8.3702 8.3702 8.8678 8.8678 9.3203 9.3203 9.5611 9.5611 10.2114 10.2114 k = 0.0000 0.0000 0.8252 ( 6108 PWs) bands (ev): -20.3912 -20.3912 -20.3785 -20.3785 -20.1693 -20.1693 -20.0843 -20.0843 -7.1295 -7.1295 -7.0878 -7.0878 -7.0489 -7.0489 -6.8725 -6.8725 -5.3616 -5.3616 -5.2881 -5.2881 -5.0779 -5.0779 -5.0332 -5.0332 -4.9526 -4.9526 -4.9192 -4.9192 -4.5707 -4.5707 -4.3218 -4.3218 -1.3193 -1.3193 -1.2307 -1.2307 5.9453 5.9453 6.2018 6.2018 6.2445 6.2445 6.3775 6.3775 6.5073 6.5073 6.7318 6.7318 8.0604 8.0604 8.3363 8.3363 8.8987 8.8987 9.3134 9.3134 9.6034 9.6034 10.1093 10.1093 k = 0.0000 0.0000 0.8546 ( 6094 PWs) bands (ev): -20.3901 -20.3901 -20.3788 -20.3788 -20.1648 -20.1648 -20.0890 -20.0890 -7.1306 -7.1306 -7.0870 -7.0870 -7.0487 -7.0487 -6.8905 -6.8905 -5.3697 -5.3697 -5.2833 -5.2833 -5.0762 -5.0762 -5.0361 -5.0361 -4.9612 -4.9612 -4.9202 -4.9202 -4.5460 -4.5460 -4.3186 -4.3186 -1.3320 -1.3320 -1.2227 -1.2227 5.9487 5.9487 6.1878 6.1878 6.2640 6.2640 6.4221 6.4221 6.4820 6.4820 6.7396 6.7396 8.1079 8.1079 8.3028 8.3028 8.9283 8.9283 9.3076 9.3076 9.6466 9.6466 10.0019 10.0019 k = 0.0000 0.0000 0.8841 ( 6094 PWs) bands (ev): -20.3890 -20.3890 -20.3791 -20.3791 -20.1605 -20.1605 -20.0936 -20.0936 -7.1317 -7.1317 -7.0861 -7.0861 -7.0488 -7.0488 -6.9082 -6.9082 -5.3772 -5.3772 -5.2789 -5.2789 -5.0748 -5.0748 -5.0401 -5.0401 -4.9694 -4.9694 -4.9198 -4.9198 -4.5208 -4.5208 -4.3152 -4.3152 -1.3448 -1.3448 -1.2156 -1.2156 5.9548 5.9548 6.1641 6.1641 6.2954 6.2954 6.4585 6.4585 6.4667 6.4667 6.7473 6.7473 8.1501 8.1501 8.2700 8.2700 8.9563 8.9563 9.3047 9.3047 9.6900 9.6900 9.8940 9.8940 k = 0.0000 0.0000 0.9136 ( 6100 PWs) bands (ev): -20.3880 -20.3880 -20.3794 -20.3794 -20.1563 -20.1563 -20.0979 -20.0979 -7.1329 -7.1329 -7.0852 -7.0852 -7.0493 -7.0493 -6.9253 -6.9253 -5.3841 -5.3841 -5.2747 -5.2747 -5.0739 -5.0739 -5.0449 -5.0449 -4.9766 -4.9766 -4.9187 -4.9187 -4.4954 -4.4954 -4.3118 -4.3118 -1.3575 -1.3575 -1.2094 -1.2094 5.9634 5.9634 6.1396 6.1396 6.3278 6.3278 6.4399 6.4399 6.5097 6.5097 6.7549 6.7549 8.1864 8.1864 8.2384 8.2384 8.9825 8.9825 9.3061 9.3061 9.7332 9.7332 9.7885 9.7885 k = 0.0000 0.0000 0.9431 ( 6120 PWs) bands (ev): -20.3871 -20.3871 -20.3796 -20.3796 -20.1523 -20.1523 -20.1020 -20.1020 -7.1341 -7.1341 -7.0843 -7.0843 -7.0499 -7.0499 -6.9418 -6.9418 -5.3905 -5.3905 -5.2707 -5.2707 -5.0739 -5.0739 -5.0498 -5.0498 -4.9826 -4.9826 -4.9174 -4.9174 -4.4703 -4.4703 -4.3083 -4.3083 -1.3700 -1.3700 -1.2039 -1.2039 5.9741 5.9741 6.1158 6.1158 6.3526 6.3526 6.4325 6.4325 6.5514 6.5514 6.7623 6.7623 8.2037 8.2037 8.2208 8.2208 9.0067 9.0067 9.3126 9.3126 9.6874 9.6874 9.7753 9.7753 k = 0.0000 0.0000 0.9725 ( 6108 PWs) bands (ev): -20.3862 -20.3862 -20.3799 -20.3799 -20.1485 -20.1485 -20.1058 -20.1058 -7.1353 -7.1353 -7.0833 -7.0833 -7.0509 -7.0509 -6.9574 -6.9574 -5.3964 -5.3964 -5.2669 -5.2669 -5.0758 -5.0758 -5.0536 -5.0536 -4.9875 -4.9875 -4.9160 -4.9160 -4.4458 -4.4458 -4.3049 -4.3049 -1.3822 -1.3822 -1.1992 -1.1992 5.9862 5.9862 6.0933 6.0933 6.3566 6.3566 6.4487 6.4487 6.5911 6.5911 6.7695 6.7695 8.1759 8.1759 8.2437 8.2437 9.0290 9.0290 9.3245 9.3245 9.5919 9.5919 9.8158 9.8158 k = 0.0000 0.0000 1.0020 ( 6112 PWs) bands (ev): -20.3854 -20.3854 -20.3801 -20.3801 -20.1450 -20.1450 -20.1094 -20.1094 -7.1365 -7.1365 -7.0823 -7.0823 -7.0520 -7.0520 -6.9720 -6.9720 -5.4016 -5.4016 -5.2631 -5.2631 -5.0801 -5.0801 -5.0555 -5.0555 -4.9915 -4.9915 -4.9146 -4.9146 -4.4222 -4.4222 -4.3016 -4.3016 -1.3938 -1.3938 -1.1953 -1.1953 5.9992 5.9992 6.0726 6.0726 6.3456 6.3456 6.4821 6.4821 6.6287 6.6287 6.7763 6.7763 8.1475 8.1475 8.2634 8.2634 9.0493 9.0493 9.3417 9.3417 9.5029 9.5029 9.8536 9.8536 k = 0.0000 0.0000 1.0315 ( 6096 PWs) bands (ev): -20.3847 -20.3847 -20.3803 -20.3803 -20.1418 -20.1418 -20.1127 -20.1127 -7.1377 -7.1377 -7.0813 -7.0813 -7.0534 -7.0534 -6.9853 -6.9853 -5.4063 -5.4063 -5.2595 -5.2595 -5.0862 -5.0862 -5.0557 -5.0557 -4.9949 -4.9949 -4.9132 -4.9132 -4.3999 -4.3999 -4.2983 -4.2983 -1.4048 -1.4048 -1.1919 -1.1919 6.0116 6.0116 6.0545 6.0545 6.3306 6.3306 6.5209 6.5209 6.6638 6.6638 6.7827 6.7827 8.1203 8.1203 8.2787 8.2787 9.0675 9.0675 9.3634 9.3634 9.4212 9.4212 9.8878 9.8878 k = 0.0000 0.0000 1.0609 ( 6098 PWs) bands (ev): -20.3840 -20.3840 -20.3805 -20.3805 -20.1388 -20.1388 -20.1157 -20.1157 -7.1390 -7.1390 -7.0804 -7.0804 -7.0549 -7.0549 -6.9973 -6.9973 -5.4104 -5.4104 -5.2559 -5.2559 -5.0931 -5.0931 -5.0549 -5.0549 -4.9978 -4.9978 -4.9120 -4.9120 -4.3792 -4.3792 -4.2951 -4.2951 -1.4150 -1.4150 -1.1891 -1.1891 6.0185 6.0185 6.0440 6.0440 6.3155 6.3155 6.5604 6.5604 6.6962 6.6962 6.7888 6.7888 8.0946 8.0946 8.2904 8.2904 9.0837 9.0837 9.3471 9.3471 9.3889 9.3889 9.9177 9.9177 k = 0.0000 0.0000 1.0904 ( 6082 PWs) bands (ev): -20.3834 -20.3834 -20.3806 -20.3806 -20.1361 -20.1361 -20.1183 -20.1183 -7.1402 -7.1402 -7.0795 -7.0795 -7.0567 -7.0567 -7.0079 -7.0079 -5.4140 -5.4140 -5.2524 -5.2524 -5.1002 -5.1002 -5.0538 -5.0538 -5.0003 -5.0003 -4.9108 -4.9108 -4.3604 -4.3604 -4.2920 -4.2920 -1.4243 -1.4243 -1.1868 -1.1868 6.0108 6.0108 6.0495 6.0495 6.3014 6.3014 6.5984 6.5984 6.7258 6.7258 6.7945 6.7945 8.0708 8.0708 8.2993 8.2993 9.0978 9.0978 9.2811 9.2811 9.4167 9.4167 9.9426 9.9426 k = 0.0000 0.0000 1.1199 ( 6082 PWs) bands (ev): -20.3829 -20.3829 -20.3808 -20.3808 -20.1338 -20.1338 -20.1207 -20.1207 -7.1414 -7.1414 -7.0787 -7.0787 -7.0585 -7.0585 -7.0168 -7.0168 -5.4171 -5.4171 -5.2491 -5.2491 -5.1070 -5.1070 -5.0525 -5.0525 -5.0025 -5.0025 -4.9098 -4.9098 -4.3439 -4.3439 -4.2889 -4.2889 -1.4327 -1.4327 -1.1850 -1.1850 5.9982 5.9982 6.0610 6.0610 6.2888 6.2888 6.6334 6.6334 6.7523 6.7523 6.7999 6.7999 8.0489 8.0489 8.3061 8.3061 9.1098 9.1098 9.2235 9.2235 9.4455 9.4455 9.9619 9.9619 k = 0.0000 0.0000 1.1494 ( 6080 PWs) bands (ev): -20.3824 -20.3824 -20.3809 -20.3809 -20.1318 -20.1318 -20.1226 -20.1226 -7.1425 -7.1425 -7.0780 -7.0780 -7.0604 -7.0604 -7.0242 -7.0242 -5.4197 -5.4197 -5.2459 -5.2459 -5.1133 -5.1133 -5.0512 -5.0512 -5.0044 -5.0044 -4.9089 -4.9089 -4.3301 -4.3301 -4.2857 -4.2857 -1.4399 -1.4399 -1.1835 -1.1835 5.9864 5.9864 6.0726 6.0726 6.2781 6.2781 6.6641 6.6641 6.7752 6.7752 6.8056 6.8056 8.0295 8.0295 8.3114 8.3114 9.1195 9.1195 9.1748 9.1748 9.4740 9.4740 9.9758 9.9758 k = 0.0000 0.0000 1.1788 ( 6080 PWs) bands (ev): -20.3821 -20.3821 -20.3810 -20.3810 -20.1301 -20.1301 -20.1243 -20.1243 -7.1435 -7.1435 -7.0775 -7.0775 -7.0622 -7.0622 -7.0299 -7.0299 -5.4218 -5.4218 -5.2431 -5.2431 -5.1188 -5.1188 -5.0500 -5.0500 -5.0060 -5.0060 -4.9082 -4.9082 -4.3192 -4.3192 -4.2824 -4.2824 -1.4459 -1.4459 -1.1824 -1.1824 5.9764 5.9764 6.0829 6.0829 6.2692 6.2692 6.6897 6.6897 6.7924 6.7924 6.8132 6.8132 8.0128 8.0128 8.3156 8.3156 9.1238 9.1238 9.1385 9.1385 9.5006 9.5006 9.9848 9.9848 k = 0.0000 0.0000 1.2083 ( 6080 PWs) bands (ev): -20.3818 -20.3818 -20.3811 -20.3811 -20.1288 -20.1288 -20.1256 -20.1256 -7.1444 -7.1444 -7.0772 -7.0772 -7.0637 -7.0637 -7.0342 -7.0342 -5.4234 -5.4234 -5.2407 -5.2407 -5.1233 -5.1233 -5.0489 -5.0489 -5.0074 -5.0074 -4.9076 -4.9076 -4.3112 -4.3112 -4.2791 -4.2791 -1.4506 -1.4506 -1.1816 -1.1816 5.9683 5.9683 6.0913 6.0913 6.2623 6.2623 6.7095 6.7095 6.8016 6.8016 6.8246 6.8246 7.9992 7.9992 8.3188 8.3188 9.1006 9.1006 9.1365 9.1365 9.5236 9.5236 9.9897 9.9897 k = 0.0000 0.0000 1.2378 ( 6072 PWs) bands (ev): -20.3816 -20.3816 -20.3812 -20.3812 -20.1279 -20.1279 -20.1265 -20.1265 -7.1451 -7.1451 -7.0771 -7.0771 -7.0648 -7.0648 -7.0371 -7.0371 -5.4245 -5.4245 -5.2388 -5.2388 -5.1267 -5.1267 -5.0481 -5.0481 -5.0083 -5.0083 -4.9072 -4.9072 -4.3060 -4.3060 -4.2761 -4.2761 -1.4541 -1.4541 -1.1810 -1.1810 5.9625 5.9625 6.0976 6.0976 6.2574 6.2574 6.7235 6.7235 6.8058 6.8058 6.8361 6.8361 7.9891 7.9891 8.3211 8.3211 9.0786 9.0786 9.1405 9.1405 9.5415 9.5415 9.9919 9.9919 k = 0.0000 0.0000 1.2672 ( 6052 PWs) bands (ev): -20.3815 -20.3815 -20.3812 -20.3812 -20.1273 -20.1273 -20.1270 -20.1270 -7.1455 -7.1455 -7.0771 -7.0771 -7.0654 -7.0654 -7.0388 -7.0388 -5.4252 -5.4252 -5.2377 -5.2377 -5.1289 -5.1289 -5.0476 -5.0476 -5.0089 -5.0089 -4.9069 -4.9069 -4.3032 -4.3032 -4.2740 -4.2740 -1.4562 -1.4562 -1.1807 -1.1807 5.9590 5.9590 6.1014 6.1014 6.2545 6.2545 6.7318 6.7318 6.8078 6.8078 6.8439 6.8439 7.9829 7.9829 8.3225 8.3225 9.0652 9.0652 9.1430 9.1430 9.5530 9.5530 9.9925 9.9925 k = 0.0000 0.0000 1.2967 ( 6050 PWs) bands (ev): -20.3814 -20.3814 -20.3812 -20.3812 -20.1272 -20.1272 -20.1271 -20.1271 -7.1457 -7.1457 -7.0771 -7.0771 -7.0656 -7.0656 -7.0394 -7.0394 -5.4254 -5.4254 -5.2373 -5.2373 -5.1296 -5.1296 -5.0474 -5.0474 -5.0091 -5.0091 -4.9069 -4.9069 -4.3023 -4.3023 -4.2733 -4.2733 -1.4569 -1.4569 -1.1806 -1.1806 5.9578 5.9578 6.1027 6.1027 6.2536 6.2536 6.7346 6.7346 6.8084 6.8084 6.8466 6.8466 7.9808 7.9808 8.3229 8.3229 9.0607 9.0607 9.1439 9.1439 9.5569 9.5569 9.9926 9.9926 k = 0.0000 0.0000 1.2967 ( 6050 PWs) bands (ev): -20.3814 -20.3814 -20.3812 -20.3812 -20.1272 -20.1272 -20.1271 -20.1271 -7.1457 -7.1457 -7.0771 -7.0771 -7.0656 -7.0656 -7.0394 -7.0394 -5.4254 -5.4254 -5.2373 -5.2373 -5.1296 -5.1296 -5.0474 -5.0474 -5.0091 -5.0091 -4.9069 -4.9069 -4.3023 -4.3023 -4.2733 -4.2733 -1.4569 -1.4569 -1.1806 -1.1806 5.9578 5.9578 6.1027 6.1027 6.2536 6.2536 6.7346 6.7346 6.8084 6.8084 6.8466 6.8466 7.9808 7.9808 8.3229 8.3229 9.0607 9.0607 9.1439 9.1439 9.5569 9.5569 9.9926 9.9926 k =-0.0109 0.0261 1.2967 ( 6052 PWs) bands (ev): -20.3814 -20.3814 -20.3812 -20.3812 -20.1274 -20.1274 -20.1269 -20.1269 -7.1453 -7.1453 -7.0769 -7.0769 -7.0657 -7.0657 -7.0389 -7.0389 -5.4251 -5.4251 -5.2375 -5.2375 -5.1294 -5.1294 -5.0479 -5.0479 -5.0088 -5.0088 -4.9067 -4.9067 -4.3029 -4.3029 -4.2742 -4.2742 -1.4563 -1.4563 -1.1805 -1.1805 5.9552 5.9552 6.1036 6.1036 6.2522 6.2522 6.7351 6.7351 6.8069 6.8069 6.8470 6.8470 7.9829 7.9829 8.3250 8.3250 9.0580 9.0580 9.1460 9.1460 9.5599 9.5599 9.9836 9.9836 k =-0.0218 0.0522 1.2967 ( 6056 PWs) bands (ev): -20.3815 -20.3815 -20.3813 -20.3813 -20.1279 -20.1279 -20.1264 -20.1264 -7.1444 -7.1444 -7.0763 -7.0763 -7.0660 -7.0660 -7.0375 -7.0375 -5.4241 -5.4241 -5.2381 -5.2381 -5.1288 -5.1288 -5.0491 -5.0491 -5.0078 -5.0078 -4.9062 -4.9062 -4.3049 -4.3049 -4.2767 -4.2767 -1.4546 -1.4546 -1.1804 -1.1804 5.9474 5.9474 6.1064 6.1064 6.2481 6.2481 6.7363 6.7363 6.8026 6.8026 6.8481 6.8481 7.9889 7.9889 8.3310 8.3310 9.0498 9.0498 9.1521 9.1521 9.5687 9.5687 9.9575 9.9575 k =-0.0327 0.0784 1.2967 ( 6056 PWs) bands (ev): -20.3815 -20.3815 -20.3814 -20.3814 -20.1288 -20.1288 -20.1256 -20.1256 -7.1429 -7.1429 -7.0755 -7.0755 -7.0664 -7.0664 -7.0353 -7.0353 -5.4224 -5.4224 -5.2391 -5.2391 -5.1279 -5.1279 -5.0510 -5.0510 -5.0063 -5.0063 -4.9053 -4.9053 -4.3086 -4.3086 -4.2803 -4.2803 -1.4517 -1.4517 -1.1801 -1.1801 5.9349 5.9349 6.1109 6.1109 6.2411 6.2411 6.7378 6.7378 6.7960 6.7960 6.8500 6.8500 7.9989 7.9989 8.3409 8.3409 9.0365 9.0365 9.1623 9.1623 9.5835 9.5835 9.9164 9.9164 k =-0.0437 0.1045 1.2967 ( 6062 PWs) bands (ev): -20.3816 -20.3816 -20.3815 -20.3815 -20.1300 -20.1300 -20.1244 -20.1244 -7.1410 -7.1410 -7.0748 -7.0748 -7.0665 -7.0665 -7.0320 -7.0320 -5.4201 -5.4201 -5.2405 -5.2405 -5.1268 -5.1268 -5.0533 -5.0533 -5.0045 -5.0045 -4.9041 -4.9041 -4.3147 -4.3147 -4.2844 -4.2844 -1.4478 -1.4478 -1.1798 -1.1798 5.9184 5.9184 6.1170 6.1170 6.2314 6.2314 6.7389 6.7389 6.7876 6.7876 6.8526 6.8526 8.0126 8.0126 8.3547 8.3547 9.0183 9.0183 9.1765 9.1765 9.6043 9.6043 9.8634 9.8634 k =-0.0437 0.1045 1.2967 ( 6062 PWs) bands (ev): -20.3816 -20.3816 -20.3815 -20.3815 -20.1300 -20.1300 -20.1244 -20.1244 -7.1410 -7.1410 -7.0748 -7.0748 -7.0665 -7.0665 -7.0320 -7.0320 -5.4201 -5.4201 -5.2405 -5.2405 -5.1268 -5.1268 -5.0533 -5.0533 -5.0045 -5.0045 -4.9041 -4.9041 -4.3147 -4.3147 -4.2844 -4.2844 -1.4478 -1.4478 -1.1798 -1.1798 5.9184 5.9184 6.1170 6.1170 6.2314 6.2314 6.7389 6.7389 6.7876 6.7876 6.8526 6.8526 8.0126 8.0126 8.3547 8.3547 9.0183 9.0183 9.1765 9.1765 9.6043 9.6043 9.8634 9.8634 k =-0.0518 0.1240 1.2756 ( 6064 PWs) bands (ev): -20.3817 -20.3817 -20.3816 -20.3816 -20.1310 -20.1310 -20.1234 -20.1234 -7.1392 -7.1392 -7.0748 -7.0748 -7.0657 -7.0657 -7.0287 -7.0287 -5.4178 -5.4178 -5.2419 -5.2419 -5.1254 -5.1254 -5.0554 -5.0554 -5.0030 -5.0030 -4.9031 -4.9031 -4.3213 -4.3213 -4.2881 -4.2881 -1.4438 -1.4438 -1.1796 -1.1796 5.9042 5.9042 6.1217 6.1217 6.2228 6.2228 6.7373 6.7373 6.7808 6.7808 6.8537 6.8537 8.0263 8.0263 8.3670 8.3670 9.0042 9.0042 9.1891 9.1891 9.6196 9.6196 9.8210 9.8210 k =-0.0600 0.1435 1.2544 ( 6062 PWs) bands (ev): -20.3818 -20.3818 -20.3816 -20.3816 -20.1320 -20.1320 -20.1224 -20.1224 -7.1370 -7.1370 -7.0755 -7.0755 -7.0637 -7.0637 -7.0246 -7.0246 -5.4149 -5.4149 -5.2437 -5.2437 -5.1233 -5.1233 -5.0576 -5.0576 -5.0012 -5.0012 -4.9019 -4.9019 -4.3298 -4.3298 -4.2929 -4.2929 -1.4385 -1.4385 -1.1795 -1.1795 5.8892 5.8892 6.1259 6.1259 6.2137 6.2137 6.7315 6.7315 6.7739 6.7739 6.8529 6.8529 8.0438 8.0438 8.3804 8.3804 8.9926 8.9926 9.2029 9.2029 9.6243 9.6243 9.7873 9.7873 k =-0.0681 0.1630 1.2333 ( 6062 PWs) bands (ev): -20.3820 -20.3820 -20.3818 -20.3818 -20.1330 -20.1330 -20.1214 -20.1214 -7.1346 -7.1346 -7.0766 -7.0766 -7.0605 -7.0605 -7.0196 -7.0196 -5.4114 -5.4114 -5.2457 -5.2457 -5.1207 -5.1207 -5.0600 -5.0600 -4.9994 -4.9994 -4.9005 -4.9005 -4.3401 -4.3401 -4.2991 -4.2991 -1.4321 -1.4321 -1.1794 -1.1794 5.8735 5.8735 6.1293 6.1293 6.2042 6.2042 6.7211 6.7211 6.7672 6.7672 6.8506 6.8506 8.0649 8.0649 8.3946 8.3946 8.9837 8.9837 9.2177 9.2177 9.6078 9.6078 9.7755 9.7755 k =-0.0763 0.1825 1.2122 ( 6070 PWs) bands (ev): -20.3822 -20.3822 -20.3820 -20.3820 -20.1340 -20.1340 -20.1204 -20.1204 -7.1319 -7.1319 -7.0779 -7.0779 -7.0567 -7.0567 -7.0139 -7.0139 -5.4073 -5.4073 -5.2480 -5.2480 -5.1176 -5.1176 -5.0626 -5.0626 -4.9975 -4.9975 -4.8990 -4.8990 -4.3520 -4.3520 -4.3067 -4.3067 -1.4245 -1.4245 -1.1794 -1.1794 5.8569 5.8569 6.1315 6.1315 6.1946 6.1946 6.7067 6.7067 6.7608 6.7608 6.8471 6.8471 8.0894 8.0894 8.4092 8.4092 8.9774 8.9774 9.2335 9.2335 9.5711 9.5711 9.7866 9.7866 k =-0.0844 0.2020 1.1910 ( 6073 PWs) bands (ev): -20.3823 -20.3823 -20.3822 -20.3822 -20.1350 -20.1350 -20.1195 -20.1195 -7.1290 -7.1290 -7.0791 -7.0791 -7.0522 -7.0522 -7.0076 -7.0076 -5.4026 -5.4026 -5.2502 -5.2502 -5.1143 -5.1143 -5.0652 -5.0652 -4.9955 -4.9955 -4.8973 -4.8973 -4.3653 -4.3653 -4.3157 -4.3157 -1.4159 -1.4159 -1.1795 -1.1795 5.8396 5.8396 6.1315 6.1315 6.1859 6.1859 6.6889 6.6889 6.7545 6.7545 6.8428 6.8428 8.1171 8.1171 8.4238 8.4238 8.9732 8.9732 9.2502 9.2502 9.5264 9.5264 9.8105 9.8105 k =-0.0926 0.2215 1.1699 ( 6065 PWs) bands (ev): -20.3825 -20.3825 -20.3824 -20.3824 -20.1360 -20.1360 -20.1186 -20.1186 -7.1261 -7.1261 -7.0803 -7.0803 -7.0471 -7.0471 -7.0005 -7.0005 -5.3973 -5.3973 -5.2523 -5.2523 -5.1109 -5.1109 -5.0678 -5.0678 -4.9937 -4.9937 -4.8953 -4.8953 -4.3800 -4.3800 -4.3260 -4.3260 -1.4063 -1.4063 -1.1797 -1.1797 5.8216 5.8216 6.1277 6.1277 6.1797 6.1797 6.6683 6.6683 6.7483 6.7483 6.8376 6.8376 8.1476 8.1476 8.4381 8.4381 8.9698 8.9698 9.2676 9.2676 9.4829 9.4829 9.8406 9.8406 k =-0.1007 0.2410 1.1488 ( 6080 PWs) bands (ev): -20.3827 -20.3827 -20.3827 -20.3827 -20.1369 -20.1369 -20.1177 -20.1177 -7.1232 -7.1232 -7.0812 -7.0812 -7.0417 -7.0417 -6.9929 -6.9929 -5.3914 -5.3914 -5.2542 -5.2542 -5.1075 -5.1075 -5.0703 -5.0703 -4.9919 -4.9919 -4.8930 -4.8930 -4.3959 -4.3959 -4.3378 -4.3378 -1.3959 -1.3959 -1.1799 -1.1799 5.8029 5.8029 6.1191 6.1191 6.1771 6.1771 6.6452 6.6452 6.7424 6.7424 6.8319 6.8319 8.1807 8.1807 8.4517 8.4517 8.9655 8.9655 9.2854 9.2854 9.4466 9.4466 9.8733 9.8733 k =-0.1089 0.2605 1.1276 ( 6082 PWs) bands (ev): -20.3830 -20.3830 -20.3829 -20.3829 -20.1378 -20.1378 -20.1168 -20.1168 -7.1203 -7.1203 -7.0820 -7.0820 -7.0357 -7.0357 -6.9846 -6.9846 -5.3849 -5.3849 -5.2557 -5.2557 -5.1045 -5.1045 -5.0725 -5.0725 -4.9903 -4.9903 -4.8904 -4.8904 -4.4129 -4.4129 -4.3508 -4.3508 -1.3846 -1.3846 -1.1802 -1.1802 5.7836 5.7836 6.1059 6.1059 6.1779 6.1779 6.6202 6.6202 6.7371 6.7371 6.8257 6.8257 8.2162 8.2162 8.4643 8.4643 8.9580 8.9580 9.3034 9.3034 9.4218 9.4218 9.9065 9.9065 k =-0.1170 0.2800 1.1065 ( 6086 PWs) bands (ev): -20.3833 -20.3833 -20.3831 -20.3831 -20.1387 -20.1387 -20.1160 -20.1160 -7.1176 -7.1176 -7.0825 -7.0825 -7.0295 -7.0295 -6.9759 -6.9759 -5.3780 -5.3780 -5.2567 -5.2567 -5.1020 -5.1020 -5.0743 -5.0743 -4.9888 -4.9888 -4.8874 -4.8874 -4.4309 -4.4309 -4.3651 -4.3651 -1.3728 -1.3728 -1.1805 -1.1805 5.7637 5.7637 6.0895 6.0895 6.1810 6.1810 6.5936 6.5936 6.7324 6.7324 6.8192 6.8192 8.2540 8.2540 8.4756 8.4756 8.9456 8.9456 9.3215 9.3215 9.4118 9.4118 9.9379 9.9379 k =-0.1252 0.2995 1.0854 ( 6080 PWs) bands (ev): -20.3837 -20.3837 -20.3833 -20.3833 -20.1396 -20.1396 -20.1152 -20.1152 -7.1151 -7.1151 -7.0828 -7.0828 -7.0228 -7.0228 -6.9667 -6.9667 -5.3706 -5.3706 -5.2571 -5.2571 -5.1006 -5.1006 -5.0754 -5.0754 -4.9876 -4.9876 -4.8839 -4.8839 -4.4498 -4.4498 -4.3805 -4.3805 -1.3604 -1.3604 -1.1809 -1.1809 5.7432 5.7432 6.0709 6.0709 6.1856 6.1856 6.5657 6.5657 6.7283 6.7283 6.8125 6.8125 8.2938 8.2938 8.4850 8.4850 8.9280 8.9280 9.3398 9.3398 9.4176 9.4176 9.9650 9.9650 k =-0.1333 0.3190 1.0642 ( 6086 PWs) bands (ev): -20.3840 -20.3840 -20.3835 -20.3835 -20.1404 -20.1404 -20.1144 -20.1144 -7.1130 -7.1130 -7.0827 -7.0827 -7.0159 -7.0159 -6.9572 -6.9572 -5.3627 -5.3627 -5.2568 -5.2568 -5.1005 -5.1005 -5.0754 -5.0754 -4.9866 -4.9866 -4.8799 -4.8799 -4.4695 -4.4695 -4.3969 -4.3969 -1.3476 -1.3476 -1.1813 -1.1813 5.7224 5.7224 6.0507 6.0507 6.1912 6.1912 6.5371 6.5371 6.7248 6.7248 6.8060 6.8060 8.3355 8.3355 8.4917 8.4917 8.9071 8.9071 9.3583 9.3583 9.4383 9.4383 9.9849 9.9849 k =-0.1414 0.3385 1.0431 ( 6094 PWs) bands (ev): -20.3844 -20.3844 -20.3837 -20.3837 -20.1412 -20.1412 -20.1137 -20.1137 -7.1112 -7.1112 -7.0824 -7.0824 -7.0087 -7.0087 -6.9474 -6.9474 -5.3545 -5.3545 -5.2557 -5.2557 -5.1017 -5.1017 -5.0743 -5.0743 -4.9858 -4.9858 -4.8755 -4.8755 -4.4898 -4.4898 -4.4143 -4.4143 -1.3345 -1.3345 -1.1818 -1.1818 5.7012 5.7012 6.0295 6.0295 6.1978 6.1978 6.5080 6.5080 6.7215 6.7215 6.7999 6.7999 8.3789 8.3789 8.4947 8.4947 8.8861 8.8861 9.3767 9.3767 9.4718 9.4718 9.9949 9.9949 k =-0.1496 0.3580 1.0220 ( 6088 PWs) bands (ev): -20.3848 -20.3848 -20.3838 -20.3838 -20.1420 -20.1420 -20.1130 -20.1130 -7.1098 -7.1098 -7.0817 -7.0817 -7.0013 -7.0013 -6.9375 -6.9375 -5.3462 -5.3462 -5.2536 -5.2536 -5.1041 -5.1041 -5.0725 -5.0725 -4.9852 -4.9852 -4.8706 -4.8706 -4.5107 -4.5107 -4.4325 -4.4325 -1.3213 -1.3213 -1.1822 -1.1822 5.6798 5.6798 6.0076 6.0076 6.2051 6.2051 6.4789 6.4789 6.7183 6.7183 6.7946 6.7946 8.4235 8.4235 8.4931 8.4931 8.8685 8.8685 9.3941 9.3941 9.5163 9.5163 9.9937 9.9937 k =-0.1577 0.3775 1.0008 ( 6088 PWs) bands (ev): -20.3852 -20.3852 -20.3840 -20.3840 -20.1427 -20.1427 -20.1123 -20.1123 -7.1088 -7.1088 -7.0808 -7.0808 -6.9938 -6.9938 -6.9276 -6.9276 -5.3377 -5.3377 -5.2504 -5.2504 -5.1073 -5.1073 -5.0703 -5.0703 -4.9847 -4.9847 -4.8651 -4.8651 -4.5320 -4.5320 -4.4513 -4.4513 -1.3081 -1.3081 -1.1827 -1.1827 5.6584 5.6584 5.9854 5.9854 6.2129 6.2129 6.4502 6.4502 6.7147 6.7147 6.7904 6.7904 8.4658 8.4658 8.4895 8.4895 8.8570 8.8570 9.4099 9.4099 9.5699 9.5699 9.9823 9.9823 k =-0.1659 0.3970 0.9797 ( 6082 PWs) bands (ev): -20.3855 -20.3855 -20.3842 -20.3842 -20.1434 -20.1434 -20.1117 -20.1117 -7.1080 -7.1080 -7.0797 -7.0797 -6.9863 -6.9863 -6.9178 -6.9178 -5.3294 -5.3294 -5.2460 -5.2460 -5.1112 -5.1112 -5.0680 -5.0680 -4.9845 -4.9845 -4.8591 -4.8591 -4.5535 -4.5535 -4.4706 -4.4706 -1.2951 -1.2951 -1.1832 -1.1832 5.6373 5.6373 5.9633 5.9633 6.2211 6.2211 6.4223 6.4223 6.7103 6.7103 6.7876 6.7876 8.4668 8.4668 8.5224 8.5224 8.8530 8.8530 9.4235 9.4235 9.6310 9.6310 9.9633 9.9633 k =-0.1740 0.4165 0.9586 ( 6089 PWs) bands (ev): -20.3859 -20.3859 -20.3844 -20.3844 -20.1440 -20.1440 -20.1111 -20.1111 -7.1076 -7.1076 -7.0785 -7.0785 -6.9788 -6.9788 -6.9081 -6.9081 -5.3213 -5.3213 -5.2403 -5.2403 -5.1155 -5.1155 -5.0658 -5.0658 -4.9843 -4.9843 -4.8526 -4.8526 -4.5753 -4.5753 -4.4902 -4.4902 -1.2824 -1.2824 -1.1836 -1.1836 5.6165 5.6165 5.9416 5.9416 6.2294 6.2294 6.3957 6.3957 6.7051 6.7051 6.7864 6.7864 8.4482 8.4482 8.5709 8.5709 8.8565 8.8565 9.4343 9.4343 9.6982 9.6982 9.9401 9.9401 k =-0.1822 0.4360 0.9374 ( 6088 PWs) bands (ev): -20.3863 -20.3863 -20.3845 -20.3845 -20.1446 -20.1446 -20.1105 -20.1105 -7.1073 -7.1073 -7.0772 -7.0772 -6.9714 -6.9714 -6.8988 -6.8988 -5.3135 -5.3135 -5.2332 -5.2332 -5.1202 -5.1202 -5.0637 -5.0637 -4.9842 -4.9842 -4.8456 -4.8456 -4.5970 -4.5970 -4.5100 -4.5100 -1.2700 -1.2700 -1.1841 -1.1841 5.5963 5.5963 5.9205 5.9205 6.2373 6.2373 6.3712 6.3712 6.6989 6.6989 6.7867 6.7867 8.4250 8.4250 8.6214 8.6214 8.8662 8.8662 9.4418 9.4418 9.7701 9.7701 9.9160 9.9160 k =-0.1903 0.4555 0.9163 ( 6088 PWs) bands (ev): -20.3866 -20.3866 -20.3847 -20.3847 -20.1451 -20.1451 -20.1100 -20.1100 -7.1072 -7.1072 -7.0760 -7.0760 -6.9643 -6.9643 -6.8898 -6.8898 -5.3061 -5.3061 -5.2248 -5.2248 -5.1253 -5.1253 -5.0618 -5.0618 -4.9841 -4.9841 -4.8381 -4.8381 -4.6185 -4.6185 -4.5299 -4.5299 -1.2583 -1.2583 -1.1845 -1.1845 5.5769 5.5769 5.9004 5.9004 6.2438 6.2438 6.3497 6.3497 6.6921 6.6921 6.7881 6.7881 8.3996 8.3996 8.6731 8.6731 8.8804 8.8804 9.4455 9.4455 9.8429 9.8429 9.8965 9.8965 k =-0.1985 0.4750 0.8952 ( 6090 PWs) bands (ev): -20.3869 -20.3869 -20.3849 -20.3849 -20.1457 -20.1457 -20.1096 -20.1096 -7.1072 -7.1072 -7.0747 -7.0747 -6.9575 -6.9575 -6.8814 -6.8814 -5.2990 -5.2990 -5.2154 -5.2154 -5.1306 -5.1306 -5.0601 -5.0601 -4.9839 -4.9839 -4.8302 -4.8302 -4.6397 -4.6397 -4.5495 -4.5495 -1.2472 -1.2472 -1.1850 -1.1850 5.5587 5.5587 5.8816 5.8816 6.2474 6.2474 6.3330 6.3330 6.6848 6.6848 6.7904 6.7904 8.3736 8.3736 8.7257 8.7257 8.8974 8.8974 9.4448 9.4448 9.8652 9.8652 9.9338 9.9338 k =-0.2066 0.4945 0.8740 ( 6088 PWs) bands (ev): -20.3872 -20.3872 -20.3850 -20.3850 -20.1461 -20.1461 -20.1092 -20.1092 -7.1072 -7.1072 -7.0736 -7.0736 -6.9511 -6.9511 -6.8735 -6.8735 -5.2924 -5.2924 -5.2053 -5.2053 -5.1360 -5.1360 -5.0587 -5.0587 -4.9838 -4.9838 -4.8218 -4.8218 -4.6602 -4.6602 -4.5689 -4.5689 -1.2369 -1.2369 -1.1853 -1.1853 5.5416 5.5416 5.8641 5.8641 6.2458 6.2458 6.3232 6.3232 6.6773 6.6773 6.7933 6.7933 8.3482 8.3482 8.7788 8.7788 8.9156 8.9156 9.4392 9.4392 9.8523 9.8523 10.0128 10.0128 k =-0.2148 0.5140 0.8529 ( 6088 PWs) bands (ev): -20.3875 -20.3875 -20.3851 -20.3851 -20.1465 -20.1465 -20.1088 -20.1088 -7.1073 -7.1073 -7.0725 -7.0725 -6.9452 -6.9452 -6.8664 -6.8664 -5.2860 -5.2860 -5.1949 -5.1949 -5.1413 -5.1413 -5.0576 -5.0576 -4.9836 -4.9836 -4.8131 -4.8131 -4.6798 -4.6798 -4.5876 -4.5876 -1.2276 -1.2276 -1.1857 -1.1857 5.5261 5.5261 5.8483 5.8483 6.2386 6.2386 6.3209 6.3209 6.6698 6.6698 6.7964 6.7964 8.3244 8.3244 8.8321 8.8321 8.9339 8.9339 9.4284 9.4284 9.8435 9.8435 10.0925 10.0925 k =-0.2229 0.5335 0.8318 ( 6092 PWs) bands (ev): -20.3877 -20.3877 -20.3852 -20.3852 -20.1469 -20.1469 -20.1085 -20.1085 -7.1074 -7.1074 -7.0716 -7.0716 -6.9399 -6.9399 -6.8600 -6.8600 -5.2799 -5.2799 -5.1849 -5.1849 -5.1463 -5.1463 -5.0566 -5.0566 -4.9834 -4.9834 -4.8041 -4.8041 -4.6981 -4.6981 -4.6057 -4.6057 -1.2193 -1.2193 -1.1860 -1.1860 5.5122 5.5122 5.8342 5.8342 6.2280 6.2280 6.3237 6.3237 6.6627 6.6627 6.7996 6.7996 8.3028 8.3028 8.8845 8.8845 8.9517 8.9517 9.4122 9.4122 9.8414 9.8414 10.1627 10.1627 k =-0.2311 0.5530 0.8106 ( 6091 PWs) bands (ev): -20.3880 -20.3880 -20.3853 -20.3853 -20.1472 -20.1472 -20.1082 -20.1082 -7.1075 -7.1075 -7.0708 -7.0708 -6.9353 -6.9353 -6.8545 -6.8545 -5.2741 -5.2741 -5.1765 -5.1765 -5.1499 -5.1499 -5.0559 -5.0559 -4.9831 -4.9831 -4.7951 -4.7951 -4.7148 -4.7148 -4.6228 -4.6228 -1.2121 -1.2121 -1.1863 -1.1863 5.5002 5.5002 5.8221 5.8221 6.2166 6.2166 6.3289 6.3289 6.6562 6.6562 6.8026 6.8026 8.2839 8.2839 8.9330 8.9330 8.9713 8.9713 9.3906 9.3906 9.8470 9.8470 10.1964 10.1964 k =-0.2392 0.5725 0.7895 ( 6087 PWs) bands (ev): -20.3881 -20.3881 -20.3854 -20.3854 -20.1474 -20.1474 -20.1080 -20.1080 -7.1076 -7.1076 -7.0702 -7.0702 -6.9314 -6.9314 -6.8499 -6.8499 -5.2687 -5.2687 -5.1718 -5.1718 -5.1503 -5.1503 -5.0553 -5.0553 -4.9828 -4.9828 -4.7862 -4.7862 -4.7291 -4.7291 -4.6386 -4.6386 -1.2061 -1.2061 -1.1865 -1.1865 5.4901 5.4901 5.8121 5.8121 6.2060 6.2060 6.3347 6.3347 6.6504 6.6504 6.8053 6.8053 8.2681 8.2681 8.9640 8.9640 9.0051 9.0051 9.3639 9.3639 9.8604 9.8604 10.1767 10.1767 k =-0.2474 0.5920 0.7684 ( 6085 PWs) bands (ev): -20.3883 -20.3883 -20.3854 -20.3854 -20.1476 -20.1476 -20.1078 -20.1078 -7.1077 -7.1077 -7.0696 -7.0696 -6.9283 -6.9283 -6.8462 -6.8462 -5.2640 -5.2640 -5.1718 -5.1718 -5.1468 -5.1468 -5.0549 -5.0549 -4.9825 -4.9825 -4.7783 -4.7783 -4.7404 -4.7404 -4.6527 -4.6527 -1.2014 -1.2014 -1.1866 -1.1866 5.4822 5.4822 5.8042 5.8042 6.1973 6.1973 6.3400 6.3400 6.6456 6.6456 6.8075 6.8075 8.2556 8.2556 8.9776 8.9776 9.0523 9.0523 9.3325 9.3325 9.8814 9.8814 10.1342 10.1342 k =-0.2555 0.6115 0.7472 ( 6097 PWs) bands (ev): -20.3884 -20.3884 -20.3855 -20.3855 -20.1477 -20.1477 -20.1077 -20.1077 -7.1078 -7.1078 -7.0693 -7.0693 -6.9261 -6.9261 -6.8436 -6.8436 -5.2602 -5.2602 -5.1739 -5.1739 -5.1423 -5.1423 -5.0547 -5.0547 -4.9822 -4.9822 -4.7726 -4.7726 -4.7475 -4.7475 -4.6643 -4.6643 -1.1980 -1.1980 -1.1867 -1.1867 5.4764 5.4764 5.7985 5.7985 6.1908 6.1908 6.3442 6.3442 6.6420 6.6420 6.8091 6.8091 8.2465 8.2465 8.9851 8.9851 9.1004 9.1004 9.2976 9.2976 9.9089 9.9089 10.0873 10.0873 k =-0.2637 0.6310 0.7261 ( 6091 PWs) bands (ev): -20.3884 -20.3884 -20.3855 -20.3855 -20.1478 -20.1478 -20.1076 -20.1076 -7.1078 -7.1078 -7.0690 -7.0690 -6.9247 -6.9247 -6.8421 -6.8421 -5.2577 -5.2577 -5.1758 -5.1758 -5.1390 -5.1390 -5.0545 -5.0545 -4.9820 -4.9820 -4.7704 -4.7704 -4.7499 -4.7499 -4.6722 -4.6722 -1.1960 -1.1960 -1.1867 -1.1867 5.4730 5.4730 5.7951 5.7951 6.1867 6.1867 6.3468 6.3468 6.6398 6.6398 6.8102 6.8102 8.2410 8.2410 8.9892 8.9892 9.1438 9.1438 9.2623 9.2623 9.9405 9.9405 10.0433 10.0433 k =-0.2718 0.6505 0.7050 ( 6100 PWs) bands (ev): -20.3884 -20.3884 -20.3855 -20.3855 -20.1479 -20.1479 -20.1076 -20.1076 -7.1078 -7.1078 -7.0690 -7.0690 -6.9242 -6.9242 -6.8416 -6.8416 -5.2568 -5.2568 -5.1766 -5.1766 -5.1378 -5.1378 -5.0545 -5.0545 -4.9819 -4.9819 -4.7701 -4.7701 -4.7502 -4.7502 -4.6749 -4.6749 -1.1954 -1.1954 -1.1867 -1.1867 5.4718 5.4718 5.7940 5.7940 6.1854 6.1854 6.3477 6.3477 6.6390 6.6390 6.8105 6.8105 8.2392 8.2392 8.9905 8.9905 9.1670 9.1670 9.2419 9.2419 9.9614 9.9614 10.0181 10.0181 k =-0.2718 0.6505 0.7050 ( 6100 PWs) bands (ev): -20.3884 -20.3884 -20.3855 -20.3855 -20.1479 -20.1479 -20.1076 -20.1076 -7.1078 -7.1078 -7.0690 -7.0690 -6.9242 -6.9242 -6.8416 -6.8416 -5.2568 -5.2568 -5.1766 -5.1766 -5.1378 -5.1378 -5.0545 -5.0545 -4.9819 -4.9819 -4.7701 -4.7701 -4.7502 -4.7502 -4.6749 -4.6749 -1.1954 -1.1954 -1.1867 -1.1867 5.4718 5.4718 5.7940 5.7940 6.1854 6.1854 6.3477 6.3477 6.6390 6.6390 6.8105 6.8105 8.2392 8.2392 8.9905 8.9905 9.1670 9.1670 9.2419 9.2419 9.9614 9.9614 10.0181 10.0181 k =-0.2638 0.6313 0.6842 ( 6096 PWs) bands (ev): -20.3889 -20.3889 -20.3848 -20.3848 -20.1409 -20.1409 -20.1147 -20.1147 -7.1063 -7.1063 -7.0717 -7.0717 -6.9128 -6.9128 -6.8520 -6.8520 -5.2556 -5.2556 -5.1805 -5.1805 -5.1363 -5.1363 -5.0456 -5.0456 -4.9787 -4.9787 -4.7800 -4.7800 -4.7512 -4.7512 -4.6791 -4.6791 -1.1937 -1.1937 -1.1860 -1.1860 5.4575 5.4575 5.8176 5.8176 6.1897 6.1897 6.3526 6.3526 6.6254 6.6254 6.7851 6.7851 8.2773 8.2773 8.9928 8.9928 9.1404 9.1404 9.2077 9.2077 10.0115 10.0115 10.0450 10.0450 k =-0.2558 0.6122 0.6635 ( 6104 PWs) bands (ev): -20.3895 -20.3895 -20.3841 -20.3841 -20.1343 -20.1343 -20.1215 -20.1215 -7.1048 -7.1048 -7.0742 -7.0742 -6.9062 -6.9062 -6.8577 -6.8577 -5.2555 -5.2555 -5.1850 -5.1850 -5.1345 -5.1345 -5.0387 -5.0387 -4.9741 -4.9741 -4.7895 -4.7895 -4.7499 -4.7499 -4.6819 -4.6819 -1.1922 -1.1922 -1.1868 -1.1868 5.4478 5.4478 5.8432 5.8432 6.1952 6.1952 6.3539 6.3539 6.6130 6.6130 6.7629 6.7629 8.3000 8.3000 8.9993 8.9993 9.1136 9.1136 9.1733 9.1733 10.0343 10.0343 10.0808 10.0808 k =-0.2478 0.5931 0.6428 ( 6092 PWs) bands (ev): -20.3902 -20.3902 -20.3834 -20.3834 -20.1319 -20.1319 -20.1239 -20.1239 -7.1035 -7.1035 -7.0764 -7.0764 -6.9080 -6.9080 -6.8551 -6.8551 -5.2562 -5.2562 -5.1901 -5.1901 -5.1325 -5.1325 -5.0345 -5.0345 -4.9686 -4.9686 -4.7956 -4.7956 -4.7483 -4.7483 -4.6832 -4.6832 -1.1910 -1.1910 -1.1891 -1.1891 5.4429 5.4429 5.8703 5.8703 6.2017 6.2017 6.3517 6.3517 6.6019 6.6019 6.7445 6.7445 8.3057 8.3057 9.0086 9.0086 9.0885 9.0885 9.1390 9.1390 10.0318 10.0318 10.1240 10.1240 k =-0.2399 0.5739 0.6220 ( 6083 PWs) bands (ev): -20.3909 -20.3909 -20.3827 -20.3827 -20.1377 -20.1377 -20.1180 -20.1180 -7.1024 -7.1024 -7.0782 -7.0782 -6.9167 -6.9167 -6.8456 -6.8456 -5.2576 -5.2576 -5.1958 -5.1958 -5.1302 -5.1302 -5.0327 -5.0327 -4.9635 -4.9635 -4.7969 -4.7969 -4.7471 -4.7471 -4.6829 -4.6829 -1.1932 -1.1932 -1.1898 -1.1898 5.4429 5.4429 5.8986 5.8986 6.2090 6.2090 6.3461 6.3461 6.5919 6.5919 6.7301 6.7301 8.2941 8.2941 9.0122 9.0122 9.0732 9.0732 9.1053 9.1053 10.0142 10.0142 10.1655 10.1655 k =-0.2319 0.5548 0.6013 ( 6081 PWs) bands (ev): -20.3918 -20.3918 -20.3820 -20.3820 -20.1446 -20.1446 -20.1110 -20.1110 -7.1016 -7.1016 -7.0797 -7.0797 -6.9284 -6.9284 -6.8332 -6.8332 -5.2595 -5.2595 -5.2021 -5.2021 -5.1278 -5.1278 -5.0329 -5.0329 -4.9598 -4.9598 -4.7930 -4.7930 -4.7463 -4.7463 -4.6808 -4.6808 -1.1990 -1.1990 -1.1887 -1.1887 5.4477 5.4477 5.9276 5.9276 6.2169 6.2169 6.3375 6.3375 6.5834 6.5834 6.7200 6.7200 8.2666 8.2666 8.9967 8.9967 9.0723 9.0723 9.0795 9.0795 9.9837 9.9837 10.2042 10.2042 k =-0.2239 0.5357 0.5806 ( 6083 PWs) bands (ev): -20.3927 -20.3927 -20.3814 -20.3814 -20.1516 -20.1516 -20.1038 -20.1038 -7.1010 -7.1010 -7.0808 -7.0808 -6.9413 -6.9413 -6.8196 -6.8196 -5.2622 -5.2622 -5.2088 -5.2088 -5.1251 -5.1251 -5.0347 -5.0347 -4.9576 -4.9576 -4.7846 -4.7846 -4.7459 -4.7459 -4.6767 -4.6767 -1.2064 -1.2064 -1.1876 -1.1876 5.4572 5.4572 5.9569 5.9569 6.2247 6.2247 6.3268 6.3268 6.5768 6.5768 6.7142 6.7142 8.2254 8.2254 8.9688 8.9688 9.0405 9.0405 9.0985 9.0985 9.9416 9.9416 10.2394 10.2394 k =-0.2159 0.5165 0.5598 ( 6077 PWs) bands (ev): -20.3937 -20.3937 -20.3807 -20.3807 -20.1585 -20.1585 -20.0966 -20.0966 -7.1007 -7.1007 -7.0814 -7.0814 -6.9547 -6.9547 -6.8057 -6.8057 -5.2657 -5.2657 -5.2156 -5.2156 -5.1224 -5.1224 -5.0375 -5.0375 -4.9568 -4.9568 -4.7735 -4.7735 -4.7451 -4.7451 -4.6703 -4.6703 -1.2154 -1.2154 -1.1867 -1.1867 5.4714 5.4714 5.9860 5.9860 6.2308 6.2308 6.3156 6.3156 6.5725 6.5725 6.7124 6.7124 8.1730 8.1730 8.9365 8.9365 9.0101 9.0101 9.1202 9.1202 9.8891 9.8891 10.2689 10.2689 k =-0.2079 0.4974 0.5391 ( 6077 PWs) bands (ev): -20.3948 -20.3948 -20.3801 -20.3801 -20.1653 -20.1653 -20.0894 -20.0894 -7.1007 -7.1007 -7.0816 -7.0816 -6.9682 -6.9682 -6.7917 -6.7917 -5.2707 -5.2707 -5.2218 -5.2218 -5.1196 -5.1196 -5.0410 -5.0410 -4.9567 -4.9567 -4.7638 -4.7638 -4.7412 -4.7412 -4.6614 -4.6614 -1.2261 -1.2261 -1.1857 -1.1857 5.4899 5.4899 6.0144 6.0144 6.2320 6.2320 6.3075 6.3075 6.5712 6.5712 6.7146 6.7146 8.1117 8.1117 8.9023 8.9023 8.9815 8.9815 9.1405 9.1405 9.8278 9.8278 10.2864 10.2864 k =-0.1999 0.4783 0.5184 ( 6089 PWs) bands (ev): -20.3959 -20.3959 -20.3795 -20.3795 -20.1720 -20.1720 -20.0822 -20.0822 -7.1010 -7.1010 -7.0815 -7.0815 -6.9816 -6.9816 -6.7778 -6.7778 -5.2775 -5.2775 -5.2268 -5.2268 -5.1166 -5.1166 -5.0450 -5.0450 -4.9568 -4.9568 -4.7602 -4.7602 -4.7309 -4.7309 -4.6496 -4.6496 -1.2382 -1.2382 -1.1848 -1.1848 5.5126 5.5126 6.0416 6.0416 6.2247 6.2247 6.3065 6.3065 6.5735 6.5735 6.7204 6.7204 8.0437 8.0437 8.8670 8.8670 8.9547 8.9547 9.1579 9.1579 9.7594 9.7594 10.2789 10.2789 k =-0.1919 0.4591 0.4976 ( 6093 PWs) bands (ev): -20.3971 -20.3971 -20.3789 -20.3789 -20.1785 -20.1785 -20.0752 -20.0752 -7.1014 -7.1014 -7.0811 -7.0811 -6.9949 -6.9949 -6.7641 -6.7641 -5.2863 -5.2863 -5.2303 -5.2303 -5.1137 -5.1137 -5.0491 -5.0491 -4.9569 -4.9569 -4.7606 -4.7606 -4.7172 -4.7172 -4.6347 -4.6347 -1.2518 -1.2518 -1.1839 -1.1839 5.5389 5.5389 6.0671 6.0671 6.2090 6.2090 6.3129 6.3129 6.5799 6.5799 6.7296 6.7296 7.9705 7.9705 8.8310 8.8310 8.9302 8.9302 9.1716 9.1716 9.6853 9.6853 10.2377 10.2377 k =-0.1839 0.4400 0.4769 ( 6093 PWs) bands (ev): -20.3984 -20.3984 -20.3784 -20.3784 -20.1849 -20.1849 -20.0682 -20.0682 -7.1019 -7.1019 -7.0806 -7.0806 -7.0079 -7.0079 -6.7507 -6.7507 -5.2970 -5.2970 -5.2321 -5.2321 -5.1108 -5.1108 -5.0532 -5.0532 -4.9569 -4.9569 -4.7625 -4.7625 -4.7035 -4.7035 -4.6165 -4.6165 -1.2666 -1.2666 -1.1830 -1.1830 5.5681 5.5681 6.0908 6.0908 6.1887 6.1887 6.3238 6.3238 6.5907 6.5907 6.7420 6.7420 7.8938 7.8938 8.7946 8.7946 8.9081 8.9081 9.1816 9.1816 9.6072 9.6072 10.1722 10.1722 k =-0.1759 0.4209 0.4562 ( 6097 PWs) bands (ev): -20.3997 -20.3997 -20.3778 -20.3778 -20.1910 -20.1910 -20.0614 -20.0614 -7.1026 -7.1026 -7.0799 -7.0799 -7.0205 -7.0205 -6.7377 -6.7377 -5.3091 -5.3091 -5.2324 -5.2324 -5.1080 -5.1080 -5.0570 -5.0570 -4.9568 -4.9568 -4.7649 -4.7649 -4.6907 -4.6907 -4.5955 -4.5955 -1.2827 -1.2827 -1.1822 -1.1822 5.5993 5.5993 6.1122 6.1122 6.1674 6.1674 6.3370 6.3370 6.6058 6.6058 6.7574 6.7574 7.8148 7.8148 8.7580 8.7580 8.8886 8.8886 9.1880 9.1880 9.5263 9.5263 10.0960 10.0960 k =-0.1679 0.4018 0.4354 ( 6101 PWs) bands (ev): -20.4011 -20.4011 -20.3773 -20.3773 -20.1970 -20.1970 -20.0547 -20.0547 -7.1033 -7.1033 -7.0792 -7.0792 -7.0327 -7.0327 -6.7251 -6.7251 -5.3221 -5.3221 -5.2317 -5.2317 -5.1054 -5.1054 -5.0605 -5.0605 -4.9565 -4.9565 -4.7676 -4.7676 -4.6790 -4.6790 -4.5722 -4.5722 -1.2997 -1.2997 -1.1814 -1.1814 5.6311 5.6311 6.1289 6.1289 6.1503 6.1503 6.3514 6.3514 6.6249 6.6249 6.7755 6.7755 7.7345 7.7345 8.7217 8.7217 8.8719 8.8719 9.1913 9.1913 9.4438 9.4438 10.0163 10.0163 k =-0.1599 0.3826 0.4147 ( 6101 PWs) bands (ev): -20.4025 -20.4025 -20.3768 -20.3768 -20.2027 -20.2027 -20.0482 -20.0482 -7.1041 -7.1041 -7.0785 -7.0785 -7.0443 -7.0443 -6.7130 -6.7130 -5.3357 -5.3357 -5.2300 -5.2300 -5.1033 -5.1033 -5.0634 -5.0634 -4.9562 -4.9562 -4.7702 -4.7702 -4.6680 -4.6680 -4.5474 -4.5474 -1.3177 -1.3177 -1.1806 -1.1806 5.6611 5.6611 6.1250 6.1250 6.1564 6.1564 6.3663 6.3663 6.6476 6.6476 6.7962 6.7962 7.6539 7.6539 8.6858 8.6858 8.8582 8.8582 9.1916 9.1916 9.3610 9.3610 9.9368 9.9368 k =-0.1519 0.3635 0.3940 ( 6105 PWs) bands (ev): -20.4039 -20.4039 -20.3763 -20.3763 -20.2082 -20.2082 -20.0419 -20.0419 -7.1052 -7.1052 -7.0777 -7.0777 -7.0551 -7.0551 -6.7013 -6.7013 -5.3495 -5.3495 -5.2276 -5.2276 -5.1017 -5.1017 -5.0656 -5.0656 -4.9560 -4.9560 -4.7727 -4.7727 -4.6576 -4.6576 -4.5216 -4.5216 -1.3365 -1.3365 -1.1798 -1.1798 5.6864 5.6864 6.1173 6.1173 6.1728 6.1728 6.3814 6.3814 6.6730 6.6730 6.8192 6.8192 7.5737 7.5737 8.6508 8.6508 8.8475 8.8475 9.1886 9.1886 9.2791 9.2791 9.8594 9.8594 k =-0.1439 0.3444 0.3732 ( 6111 PWs) bands (ev): -20.4053 -20.4053 -20.3759 -20.3759 -20.2135 -20.2135 -20.0358 -20.0358 -7.1067 -7.1067 -7.0771 -7.0771 -7.0649 -7.0649 -6.6902 -6.6902 -5.3633 -5.3633 -5.2246 -5.2246 -5.1008 -5.1008 -5.0670 -5.0670 -4.9558 -4.9558 -4.7751 -4.7751 -4.6476 -4.6476 -4.4953 -4.4953 -1.3558 -1.3558 -1.1791 -1.1791 5.7035 5.7035 6.1199 6.1199 6.1896 6.1896 6.3966 6.3966 6.7005 6.7005 6.8441 6.8441 7.4947 7.4947 8.6170 8.6170 8.8399 8.8399 9.1741 9.1741 9.2074 9.2074 9.7853 9.7853 k =-0.1359 0.3252 0.3525 ( 6121 PWs) bands (ev): -20.4068 -20.4068 -20.3755 -20.3755 -20.2184 -20.2184 -20.0299 -20.0299 -7.1090 -7.1090 -7.0768 -7.0768 -7.0731 -7.0731 -6.6797 -6.6797 -5.3768 -5.3768 -5.2210 -5.2210 -5.1009 -5.1009 -5.0674 -5.0674 -4.9557 -4.9557 -4.7774 -4.7774 -4.6378 -4.6378 -4.4689 -4.4689 -1.3755 -1.3755 -1.1785 -1.1785 5.7098 5.7098 6.1365 6.1365 6.2064 6.2064 6.4117 6.4117 6.7292 6.7292 6.8706 6.8706 7.4176 7.4176 8.5847 8.5847 8.8355 8.8355 9.1088 9.1088 9.1856 9.1856 9.7154 9.7154 k =-0.1279 0.3061 0.3318 ( 6125 PWs) bands (ev): -20.4083 -20.4083 -20.3751 -20.3751 -20.2232 -20.2232 -20.0242 -20.0242 -7.1125 -7.1125 -7.0806 -7.0806 -7.0755 -7.0755 -6.6697 -6.6697 -5.3901 -5.3901 -5.2169 -5.2169 -5.1017 -5.1017 -5.0669 -5.0669 -4.9558 -4.9558 -4.7794 -4.7794 -4.6283 -4.6283 -4.4426 -4.4426 -1.3955 -1.3955 -1.1778 -1.1778 5.7047 5.7047 6.1680 6.1680 6.2234 6.2234 6.4268 6.4268 6.7584 6.7584 6.8980 6.8980 7.3428 7.3428 8.5546 8.5546 8.8342 8.8342 9.0313 9.0313 9.1754 9.1754 9.6503 9.6503 k =-0.1199 0.2870 0.3110 ( 6131 PWs) bands (ev): -20.4097 -20.4097 -20.3747 -20.3747 -20.2276 -20.2276 -20.0188 -20.0188 -7.1174 -7.1174 -7.0851 -7.0851 -7.0752 -7.0752 -6.6602 -6.6602 -5.4029 -5.4029 -5.2125 -5.2125 -5.1032 -5.1032 -5.0658 -5.0658 -4.9560 -4.9560 -4.7812 -4.7812 -4.6191 -4.6191 -4.4168 -4.4168 -1.4155 -1.4155 -1.1772 -1.1772 5.6903 5.6903 6.2121 6.2121 6.2411 6.2411 6.4416 6.4416 6.7876 6.7876 6.9258 6.9258 7.2711 7.2711 8.5269 8.5269 8.8361 8.8361 8.9549 8.9549 9.1637 9.1637 9.5902 9.5902 k =-0.1119 0.2678 0.2903 ( 6127 PWs) bands (ev): -20.4111 -20.4111 -20.3744 -20.3744 -20.2318 -20.2318 -20.0137 -20.0137 -7.1235 -7.1235 -7.0879 -7.0879 -7.0748 -7.0748 -6.6514 -6.6514 -5.4151 -5.4151 -5.2077 -5.2077 -5.1051 -5.1051 -5.0642 -5.0642 -4.9564 -4.9564 -4.7827 -4.7827 -4.6101 -4.6101 -4.3916 -4.3916 -1.4354 -1.4354 -1.1766 -1.1766 5.6691 5.6691 6.2554 6.2554 6.2703 6.2703 6.4563 6.4563 6.8160 6.8160 6.9534 6.9534 7.2031 7.2031 8.5022 8.5022 8.8409 8.8409 8.8810 8.8810 9.1491 9.1491 9.5330 9.5330 k =-0.1039 0.2487 0.2695 ( 6131 PWs) bands (ev): -20.4125 -20.4125 -20.3741 -20.3741 -20.2357 -20.2357 -20.0089 -20.0089 -7.1302 -7.1302 -7.0894 -7.0894 -7.0745 -7.0745 -6.6432 -6.6432 -5.4267 -5.4267 -5.2026 -5.2026 -5.1073 -5.1073 -5.0625 -5.0625 -4.9570 -4.9570 -4.7841 -4.7841 -4.6014 -4.6014 -4.3672 -4.3672 -1.4550 -1.4550 -1.1761 -1.1761 5.6439 5.6439 6.2754 6.2754 6.3311 6.3311 6.4707 6.4707 6.8429 6.8429 6.9801 6.9801 7.1396 7.1396 8.4809 8.4809 8.8094 8.8094 8.8491 8.8491 9.1312 9.1312 9.4734 9.4734 k =-0.0959 0.2296 0.2488 ( 6133 PWs) bands (ev): -20.4139 -20.4139 -20.3738 -20.3738 -20.2393 -20.2393 -20.0044 -20.0044 -7.1372 -7.1372 -7.0900 -7.0900 -7.0743 -7.0743 -6.6356 -6.6356 -5.4376 -5.4376 -5.1974 -5.1974 -5.1095 -5.1095 -5.0608 -5.0608 -4.9577 -4.9577 -4.7852 -4.7852 -4.5930 -4.5930 -4.3438 -4.3438 -1.4740 -1.4740 -1.1756 -1.1756 5.6166 5.6166 6.2944 6.2944 6.3983 6.3983 6.4850 6.4850 6.8668 6.8668 7.0055 7.0055 7.0821 7.0821 8.4633 8.4633 8.7414 8.7414 8.8594 8.8594 9.1099 9.1099 9.4122 9.4122 k =-0.0879 0.2104 0.2281 ( 6127 PWs) bands (ev): -20.4152 -20.4152 -20.3735 -20.3735 -20.2426 -20.2426 -20.0002 -20.0002 -7.1440 -7.1440 -7.0901 -7.0901 -7.0742 -7.0742 -6.6286 -6.6286 -5.4477 -5.4477 -5.1920 -5.1920 -5.1118 -5.1118 -5.0593 -5.0593 -4.9585 -4.9585 -4.7860 -4.7860 -4.5851 -4.5851 -4.3216 -4.3216 -1.4924 -1.4924 -1.1752 -1.1752 5.5887 5.5887 6.3137 6.3137 6.4670 6.4670 6.5011 6.5011 6.8849 6.8849 7.0235 7.0235 7.0394 7.0394 8.4497 8.4497 8.6769 8.6769 8.8722 8.8722 9.0856 9.0856 9.3535 9.3535 k =-0.0800 0.1913 0.2073 ( 6123 PWs) bands (ev): -20.4164 -20.4164 -20.3733 -20.3733 -20.2456 -20.2456 -19.9963 -19.9963 -7.1504 -7.1504 -7.0899 -7.0899 -7.0742 -7.0742 -6.6223 -6.6223 -5.4571 -5.4571 -5.1866 -5.1866 -5.1140 -5.1140 -5.0579 -5.0579 -4.9593 -4.9593 -4.7867 -4.7867 -4.5775 -4.5775 -4.3007 -4.3007 -1.5099 -1.5099 -1.1748 -1.1748 5.5611 5.5611 6.3333 6.3333 6.5071 6.5071 6.5465 6.5465 6.8905 6.8905 6.9971 6.9971 7.0554 7.0554 8.4402 8.4402 8.6161 8.6161 8.8869 8.8869 9.0592 9.0592 9.2986 9.2986 k =-0.0720 0.1722 0.1866 ( 6119 PWs) bands (ev): -20.4176 -20.4176 -20.3730 -20.3730 -20.2484 -20.2484 -19.9927 -19.9927 -7.1565 -7.1565 -7.0894 -7.0894 -7.0743 -7.0743 -6.6166 -6.6166 -5.4656 -5.4656 -5.1812 -5.1812 -5.1161 -5.1161 -5.0568 -5.0568 -4.9602 -4.9602 -4.7872 -4.7872 -4.5705 -4.5705 -4.2813 -4.2813 -1.5264 -1.5264 -1.1745 -1.1745 5.5346 5.5346 6.3528 6.3528 6.5220 6.5220 6.6152 6.6152 6.8765 6.8765 6.9871 6.9871 7.0776 7.0776 8.4348 8.4348 8.5594 8.5594 8.9031 8.9031 9.0319 9.0319 9.2481 9.2481 k =-0.0640 0.1530 0.1659 ( 6109 PWs) bands (ev): -20.4187 -20.4187 -20.3728 -20.3728 -20.2508 -20.2508 -19.9895 -19.9895 -7.1619 -7.1619 -7.0888 -7.0888 -7.0745 -7.0745 -6.6114 -6.6114 -5.4733 -5.4733 -5.1759 -5.1759 -5.1181 -5.1181 -5.0561 -5.0561 -4.9611 -4.9611 -4.7876 -4.7876 -4.5640 -4.5640 -4.2635 -4.2635 -1.5416 -1.5416 -1.1741 -1.1741 5.5097 5.5097 6.3719 6.3719 6.5352 6.5352 6.6785 6.6785 6.8531 6.8531 6.9937 6.9937 7.0996 7.0996 8.4330 8.4330 8.5071 8.5071 8.9202 8.9202 9.0047 9.0047 9.2022 9.2022 k =-0.0560 0.1339 0.1451 ( 6099 PWs) bands (ev): -20.4196 -20.4196 -20.3727 -20.3727 -20.2530 -20.2530 -19.9866 -19.9866 -7.1669 -7.1669 -7.0881 -7.0881 -7.0747 -7.0747 -6.6069 -6.6069 -5.4801 -5.4801 -5.1708 -5.1708 -5.1199 -5.1199 -5.0557 -5.0557 -4.9619 -4.9619 -4.7878 -4.7878 -4.5582 -4.5582 -4.2475 -4.2475 -1.5555 -1.5555 -1.1739 -1.1739 5.4870 5.4870 6.3900 6.3900 6.5481 6.5481 6.7225 6.7225 6.8403 6.8403 7.0081 7.0081 7.1214 7.1214 8.4345 8.4345 8.4595 8.4595 8.9375 8.9375 8.9787 8.9787 9.1612 9.1612 k =-0.0480 0.1148 0.1244 ( 6115 PWs) bands (ev): -20.4205 -20.4205 -20.3725 -20.3725 -20.2548 -20.2548 -19.9842 -19.9842 -7.1712 -7.1712 -7.0874 -7.0874 -7.0750 -7.0750 -6.6030 -6.6030 -5.4860 -5.4860 -5.1660 -5.1660 -5.1215 -5.1215 -5.0556 -5.0556 -4.9626 -4.9626 -4.7880 -4.7880 -4.5530 -4.5530 -4.2333 -4.2333 -1.5678 -1.5678 -1.1736 -1.1736 5.4667 5.4667 6.4068 6.4068 6.5609 6.5609 6.7309 6.7309 6.8535 6.8535 7.0295 7.0295 7.1430 7.1430 8.4168 8.4168 8.4386 8.4386 8.9540 8.9540 8.9548 8.9548 9.1252 9.1252 k =-0.0400 0.0957 0.1037 ( 6115 PWs) bands (ev): -20.4212 -20.4212 -20.3724 -20.3724 -20.2564 -20.2564 -19.9820 -19.9820 -7.1748 -7.1748 -7.0866 -7.0866 -7.0754 -7.0754 -6.5998 -6.5998 -5.4911 -5.4911 -5.1617 -5.1617 -5.1229 -5.1229 -5.0557 -5.0557 -4.9633 -4.9633 -4.7881 -4.7881 -4.5485 -4.5485 -4.2211 -4.2211 -1.5785 -1.5785 -1.1735 -1.1735 5.4491 5.4491 6.4216 6.4216 6.5736 6.5736 6.7172 6.7172 6.8759 6.8759 7.0599 7.0599 7.1641 7.1641 8.3798 8.3798 8.4443 8.4443 8.9327 8.9327 8.9696 8.9696 9.0945 9.0945 k =-0.0320 0.0765 0.0829 ( 6109 PWs) bands (ev): -20.4219 -20.4219 -20.3723 -20.3723 -20.2577 -20.2577 -19.9803 -19.9803 -7.1779 -7.1779 -7.0858 -7.0858 -7.0758 -7.0758 -6.5971 -6.5971 -5.4952 -5.4952 -5.1578 -5.1578 -5.1241 -5.1241 -5.0560 -5.0560 -4.9638 -4.9638 -4.7881 -4.7881 -4.5448 -4.5448 -4.2110 -4.2110 -1.5875 -1.5875 -1.1733 -1.1733 5.4344 5.4344 6.4340 6.4340 6.5857 6.5857 6.6996 6.6996 6.8899 6.8899 7.0965 7.0965 7.1850 7.1850 8.3486 8.3486 8.4508 8.4508 8.9132 8.9132 8.9823 8.9823 9.0443 9.0443 k =-0.0240 0.0574 0.0622 ( 6099 PWs) bands (ev): -20.4223 -20.4223 -20.3722 -20.3722 -20.2587 -20.2587 -19.9789 -19.9789 -7.1802 -7.1802 -7.0852 -7.0852 -7.0761 -7.0761 -6.5950 -6.5950 -5.4984 -5.4984 -5.1547 -5.1547 -5.1250 -5.1250 -5.0564 -5.0564 -4.9641 -4.9641 -4.7881 -4.7881 -4.5419 -4.5419 -4.2031 -4.2031 -1.5945 -1.5945 -1.1732 -1.1732 5.4229 5.4229 6.4438 6.4438 6.5968 6.5968 6.6840 6.6840 6.8953 6.8953 7.1310 7.1310 7.2060 7.2060 8.3238 8.3238 8.4572 8.4572 8.8950 8.8950 8.9795 8.9795 8.9910 8.9910 k =-0.0160 0.0383 0.0415 ( 6099 PWs) bands (ev): -20.4227 -20.4227 -20.3722 -20.3722 -20.2594 -20.2594 -19.9780 -19.9780 -7.1819 -7.1819 -7.0846 -7.0846 -7.0765 -7.0765 -6.5935 -6.5935 -5.5008 -5.5008 -5.1523 -5.1523 -5.1257 -5.1257 -5.0568 -5.0568 -4.9644 -4.9644 -4.7881 -4.7881 -4.5397 -4.5397 -4.1973 -4.1973 -1.5996 -1.5996 -1.1731 -1.1731 5.4145 5.4145 6.4507 6.4507 6.6058 6.6058 6.6723 6.6723 6.8960 6.8960 7.1563 7.1563 7.2264 7.2264 8.3057 8.3057 8.4625 8.4625 8.8758 8.8758 8.9353 8.9353 8.9945 8.9945 k =-0.0080 0.0191 0.0207 ( 6113 PWs) bands (ev): -20.4229 -20.4229 -20.3721 -20.3721 -20.2598 -20.2598 -19.9774 -19.9774 -7.1829 -7.1829 -7.0842 -7.0842 -7.0767 -7.0767 -6.5926 -6.5926 -5.5021 -5.5021 -5.1508 -5.1508 -5.1261 -5.1261 -5.0570 -5.0570 -4.9646 -4.9646 -4.7881 -4.7881 -4.5385 -4.5385 -4.1939 -4.1939 -1.6027 -1.6027 -1.1730 -1.1730 5.4095 5.4095 6.4548 6.4548 6.6117 6.6117 6.6652 6.6652 6.8952 6.8952 7.1704 7.1704 7.2422 7.2422 8.2947 8.2947 8.4660 8.4660 8.8573 8.8573 8.9139 8.9139 8.9945 8.9945 k = 0.0000 0.0000 0.0000 ( 6137 PWs) bands (ev): -20.4230 -20.4230 -20.3721 -20.3721 -20.2600 -20.2600 -19.9772 -19.9772 -7.1833 -7.1833 -7.0841 -7.0841 -7.0768 -7.0768 -6.5923 -6.5923 -5.5026 -5.5026 -5.1503 -5.1503 -5.1262 -5.1262 -5.0571 -5.0571 -4.9646 -4.9646 -4.7881 -4.7881 -4.5380 -4.5380 -4.1927 -4.1927 -1.6037 -1.6037 -1.1730 -1.1730 5.4078 5.4078 6.4562 6.4562 6.6138 6.6138 6.6628 6.6628 6.8947 6.8947 7.1749 7.1749 7.2482 7.2482 8.2910 8.2910 8.4672 8.4672 8.8494 8.8494 8.9081 8.9081 8.9939 8.9939 k = 0.0000 0.0000 0.0000 ( 6137 PWs) bands (ev): -20.4230 -20.4230 -20.3721 -20.3721 -20.2600 -20.2600 -19.9772 -19.9772 -7.1833 -7.1833 -7.0841 -7.0841 -7.0768 -7.0768 -6.5923 -6.5923 -5.5026 -5.5026 -5.1503 -5.1503 -5.1262 -5.1262 -5.0571 -5.0571 -4.9646 -4.9646 -4.7881 -4.7881 -4.5380 -4.5380 -4.1927 -4.1927 -1.6037 -1.6037 -1.1730 -1.1730 5.4078 5.4078 6.4562 6.4562 6.6138 6.6138 6.6628 6.6628 6.8947 6.8947 7.1749 7.1749 7.2482 7.2482 8.2910 8.2910 8.4672 8.4672 8.8494 8.8494 8.9081 8.9081 8.9939 8.9939 k = 0.0263 0.0110 0.0000 ( 6113 PWs) bands (ev): -20.4229 -20.4229 -20.3722 -20.3722 -20.2599 -20.2599 -19.9772 -19.9772 -7.1833 -7.1833 -7.0873 -7.0873 -7.0734 -7.0734 -6.5925 -6.5925 -5.5026 -5.5026 -5.1513 -5.1513 -5.1248 -5.1248 -5.0573 -5.0573 -4.9643 -4.9643 -4.7882 -4.7882 -4.5388 -4.5388 -4.1927 -4.1927 -1.6029 -1.6029 -1.1733 -1.1733 5.4093 5.4093 6.4549 6.4549 6.6120 6.6120 6.6471 6.6471 6.9082 6.9082 7.1768 7.1768 7.2498 7.2498 8.2911 8.2911 8.4590 8.4590 8.8528 8.8528 8.9189 8.9189 8.9975 8.9975 k = 0.0526 0.0220 0.0000 ( 6097 PWs) bands (ev): -20.4227 -20.4227 -20.3725 -20.3725 -20.2598 -20.2598 -19.9772 -19.9772 -7.1833 -7.1833 -7.0925 -7.0925 -7.0677 -7.0677 -6.5929 -6.5929 -5.5028 -5.5028 -5.1537 -5.1537 -5.1210 -5.1210 -5.0579 -5.0579 -4.9632 -4.9632 -4.7887 -4.7887 -4.5410 -4.5410 -4.1928 -4.1928 -1.6005 -1.6005 -1.1743 -1.1743 5.4135 5.4135 6.4509 6.4509 6.6069 6.6069 6.6089 6.6089 6.9401 6.9401 7.1823 7.1823 7.2548 7.2548 8.2917 8.2917 8.4365 8.4365 8.8628 8.8628 8.9492 8.9492 9.0084 9.0084 k = 0.0789 0.0330 0.0000 ( 6109 PWs) bands (ev): -20.4223 -20.4223 -20.3731 -20.3731 -20.2597 -20.2597 -19.9772 -19.9772 -7.1833 -7.1833 -7.0977 -7.0977 -7.0616 -7.0616 -6.5937 -6.5937 -5.5030 -5.5030 -5.1568 -5.1568 -5.1158 -5.1158 -5.0588 -5.0588 -4.9615 -4.9615 -4.7894 -4.7894 -4.5447 -4.5447 -4.1929 -4.1929 -1.5967 -1.5967 -1.1758 -1.1758 5.4204 5.4204 6.4444 6.4444 6.5608 6.5608 6.5987 6.5987 6.9776 6.9776 7.1912 7.1912 7.2627 7.2627 8.2926 8.2926 8.4046 8.4046 8.8794 8.8794 8.9940 8.9940 9.0263 9.0263 k = 0.1053 0.0440 0.0000 ( 6120 PWs) bands (ev): -20.4218 -20.4218 -20.3738 -20.3738 -20.2595 -20.2595 -19.9772 -19.9772 -7.1833 -7.1833 -7.1027 -7.1027 -7.0553 -7.0553 -6.5948 -6.5948 -5.5032 -5.5032 -5.1600 -5.1600 -5.1095 -5.1095 -5.0601 -5.0601 -4.9591 -4.9591 -4.7904 -4.7904 -4.5497 -4.5497 -4.1930 -4.1930 -1.5913 -1.5913 -1.1779 -1.1779 5.4295 5.4295 6.4358 6.4358 6.5101 6.5101 6.5878 6.5878 7.0136 7.0136 7.2027 7.2027 7.2731 7.2731 8.2938 8.2938 8.3674 8.3674 8.9022 8.9022 9.0491 9.0491 9.0513 9.0513 k = 0.1316 0.0550 0.0000 ( 6128 PWs) bands (ev): -20.4211 -20.4211 -20.3747 -20.3747 -20.2592 -20.2592 -19.9772 -19.9772 -7.1834 -7.1834 -7.1075 -7.1075 -7.0490 -7.0490 -6.5961 -6.5961 -5.5036 -5.5036 -5.1630 -5.1630 -5.1026 -5.1026 -5.0615 -5.0615 -4.9563 -4.9563 -4.7916 -4.7916 -4.5559 -4.5559 -4.1932 -4.1932 -1.5847 -1.5847 -1.1806 -1.1806 5.4403 5.4403 6.4254 6.4254 6.4608 6.4608 6.5749 6.5749 7.0450 7.0450 7.2151 7.2151 7.2855 7.2855 8.2951 8.2951 8.3284 8.3284 8.9303 8.9303 9.0833 9.0833 9.1110 9.1110 k = 0.1579 0.0660 0.0000 ( 6128 PWs) bands (ev): -20.4203 -20.4203 -20.3758 -20.3758 -20.2589 -20.2589 -19.9772 -19.9772 -7.1834 -7.1834 -7.1121 -7.1121 -7.0426 -7.0426 -6.5976 -6.5976 -5.5040 -5.5040 -5.1658 -5.1658 -5.0951 -5.0951 -5.0631 -5.0631 -4.9530 -4.9530 -4.7931 -4.7931 -4.5633 -4.5633 -4.1933 -4.1933 -1.5769 -1.5769 -1.1837 -1.1837 5.4521 5.4521 6.4136 6.4136 6.4156 6.4156 6.5604 6.5604 7.0706 7.0706 7.2264 7.2264 7.2994 7.2994 8.2864 8.2864 8.2995 8.2995 8.9615 8.9615 9.1219 9.1219 9.1636 9.1636 k = 0.1842 0.0770 0.0000 ( 6120 PWs) bands (ev): -20.4194 -20.4194 -20.3771 -20.3771 -20.2586 -20.2586 -19.9772 -19.9772 -7.1834 -7.1834 -7.1163 -7.1163 -7.0363 -7.0363 -6.5994 -6.5994 -5.5044 -5.5044 -5.1684 -5.1684 -5.0872 -5.0872 -5.0648 -5.0648 -4.9494 -4.9494 -4.7948 -4.7948 -4.5717 -4.5717 -4.1935 -4.1935 -1.5681 -1.5681 -1.1874 -1.1874 5.4640 5.4640 6.3765 6.3765 6.4010 6.4010 6.5450 6.5450 7.0903 7.0903 7.2344 7.2344 7.3141 7.3141 8.2492 8.2492 8.3002 8.3002 8.9905 8.9905 9.1668 9.1668 9.1795 9.1795 k = 0.2105 0.0880 0.0000 ( 6100 PWs) bands (ev): -20.4183 -20.4183 -20.3785 -20.3785 -20.2582 -20.2582 -19.9772 -19.9772 -7.1834 -7.1834 -7.1203 -7.1203 -7.0302 -7.0302 -6.6013 -6.6013 -5.5049 -5.5049 -5.1707 -5.1707 -5.0791 -5.0791 -5.0666 -5.0666 -4.9455 -4.9455 -4.7967 -4.7967 -4.5809 -4.5809 -4.1937 -4.1937 -1.5585 -1.5585 -1.1915 -1.1915 5.4751 5.4751 6.3452 6.3452 6.3878 6.3878 6.5291 6.5291 7.1039 7.1039 7.2375 7.2375 7.3291 7.3291 8.2126 8.2126 8.3023 8.3023 9.0071 9.0071 9.1759 9.1759 9.2188 9.2188 k = 0.2368 0.0990 0.0000 ( 6112 PWs) bands (ev): -20.4171 -20.4171 -20.3801 -20.3801 -20.2579 -20.2579 -19.9772 -19.9772 -7.1835 -7.1835 -7.1239 -7.1239 -7.0242 -7.0242 -6.6033 -6.6033 -5.5054 -5.5054 -5.1728 -5.1728 -5.0707 -5.0707 -5.0683 -5.0683 -4.9415 -4.9415 -4.7987 -4.7987 -4.5906 -4.5906 -4.1939 -4.1939 -1.5483 -1.5483 -1.1959 -1.1959 5.4845 5.4845 6.3233 6.3233 6.3746 6.3746 6.5133 6.5133 7.1105 7.1105 7.2359 7.2359 7.3441 7.3441 8.1781 8.1781 8.3047 8.3047 9.0058 9.0058 9.2030 9.2030 9.2762 9.2762 k = 0.2632 0.1100 0.0000 ( 6124 PWs) bands (ev): -20.4158 -20.4158 -20.3818 -20.3818 -20.2575 -20.2575 -19.9772 -19.9772 -7.1835 -7.1835 -7.1272 -7.1272 -7.0185 -7.0185 -6.6054 -6.6054 -5.5058 -5.5058 -5.1746 -5.1746 -5.0700 -5.0700 -5.0622 -5.0622 -4.9374 -4.9374 -4.8009 -4.8009 -4.6008 -4.6008 -4.1942 -4.1942 -1.5378 -1.5378 -1.2006 -1.2006 5.4913 5.4913 6.3119 6.3119 6.3616 6.3616 6.4979 6.4979 7.1073 7.1073 7.2316 7.2316 7.3586 7.3586 8.1463 8.1463 8.3071 8.3071 8.9953 8.9953 9.2506 9.2506 9.3394 9.3394 k = 0.2895 0.1210 0.0000 ( 6132 PWs) bands (ev): -20.4144 -20.4144 -20.3835 -20.3835 -20.2571 -20.2571 -19.9772 -19.9772 -7.1836 -7.1836 -7.1301 -7.1301 -7.0132 -7.0132 -6.6074 -6.6074 -5.5063 -5.5063 -5.1761 -5.1761 -5.0716 -5.0716 -5.0538 -5.0538 -4.9333 -4.9333 -4.8032 -4.8032 -4.6110 -4.6110 -4.1944 -4.1944 -1.5272 -1.5272 -1.2054 -1.2054 5.4950 5.4950 6.3116 6.3116 6.3492 6.3492 6.4833 6.4833 7.0914 7.0914 7.2284 7.2284 7.3723 7.3723 8.1174 8.1174 8.3096 8.3096 8.9848 8.9848 9.3081 9.3081 9.4079 9.4079 k = 0.3158 0.1320 0.0000 ( 6140 PWs) bands (ev): -20.4129 -20.4129 -20.3854 -20.3854 -20.2568 -20.2568 -19.9772 -19.9772 -7.1836 -7.1836 -7.1327 -7.1327 -7.0082 -7.0082 -6.6095 -6.6095 -5.5068 -5.5068 -5.1774 -5.1774 -5.0731 -5.0731 -5.0456 -5.0456 -4.9293 -4.9293 -4.8055 -4.8055 -4.6211 -4.6211 -4.1946 -4.1946 -1.5168 -1.5168 -1.2103 -1.2103 5.4957 5.4957 6.3221 6.3221 6.3383 6.3383 6.4698 6.4698 7.0616 7.0616 7.2282 7.2282 7.3849 7.3849 8.0916 8.0916 8.3119 8.3119 8.9778 8.9778 9.3690 9.3690 9.4811 9.4811 k = 0.3421 0.1430 0.0000 ( 6148 PWs) bands (ev): -20.4112 -20.4112 -20.3874 -20.3874 -20.2565 -20.2565 -19.9772 -19.9772 -7.1836 -7.1836 -7.1350 -7.1350 -7.0037 -7.0037 -6.6114 -6.6114 -5.5072 -5.5072 -5.1786 -5.1786 -5.0744 -5.0744 -5.0378 -5.0378 -4.9256 -4.9256 -4.8077 -4.8077 -4.6308 -4.6308 -4.1948 -4.1948 -1.5069 -1.5069 -1.2151 -1.2151 5.4936 5.4936 6.3257 6.3257 6.3462 6.3462 6.4577 6.4577 7.0198 7.0198 7.2305 7.2305 7.3963 7.3963 8.0690 8.0690 8.3142 8.3142 8.9750 8.9750 9.4290 9.4290 9.5585 9.5585 k = 0.3684 0.1540 0.0000 ( 6152 PWs) bands (ev): -20.4095 -20.4095 -20.3894 -20.3894 -20.2562 -20.2562 -19.9772 -19.9772 -7.1837 -7.1837 -7.1369 -7.1369 -6.9998 -6.9998 -6.6131 -6.6131 -5.5076 -5.5076 -5.1795 -5.1795 -5.0755 -5.0755 -5.0307 -5.0307 -4.9221 -4.9221 -4.8098 -4.8098 -4.6397 -4.6397 -4.1950 -4.1950 -1.4978 -1.4978 -1.2197 -1.2197 5.4897 5.4897 6.3171 6.3171 6.3776 6.3776 6.4471 6.4471 6.9688 6.9688 7.2341 7.2341 7.4062 7.4062 8.0498 8.0498 8.3162 8.3162 8.9757 8.9757 9.4842 9.4842 9.6394 9.6394 k = 0.3947 0.1650 0.0000 ( 6140 PWs) bands (ev): -20.4077 -20.4077 -20.3914 -20.3914 -20.2560 -20.2560 -19.9772 -19.9772 -7.1837 -7.1837 -7.1385 -7.1385 -6.9965 -6.9965 -6.6146 -6.6146 -5.5079 -5.5079 -5.1802 -5.1802 -5.0765 -5.0765 -5.0244 -5.0244 -4.9191 -4.9191 -4.8118 -4.8118 -4.6476 -4.6476 -4.1951 -4.1951 -1.4897 -1.4897 -1.2238 -1.2238 5.4848 5.4848 6.3094 6.3094 6.4180 6.4180 6.4382 6.4382 6.9115 6.9115 7.2378 7.2378 7.4145 7.4145 8.0339 8.0339 8.3179 8.3179 8.9789 8.9789 9.5315 9.5315 9.7229 9.7229 k = 0.4211 0.1760 0.0000 ( 6140 PWs) bands (ev): -20.4058 -20.4058 -20.3935 -20.3935 -20.2558 -20.2558 -19.9772 -19.9772 -7.1837 -7.1837 -7.1398 -7.1398 -6.9938 -6.9938 -6.6159 -6.6159 -5.5081 -5.5081 -5.1807 -5.1807 -5.0772 -5.0772 -5.0191 -5.0191 -4.9166 -4.9166 -4.8134 -4.8134 -4.6541 -4.6541 -4.1952 -4.1952 -1.4831 -1.4831 -1.2273 -1.2273 5.4799 5.4799 6.3033 6.3033 6.4311 6.4311 6.4654 6.4654 6.8503 6.8503 7.2412 7.2412 7.4210 7.4210 8.0215 8.0215 8.3193 8.3193 8.9832 8.9832 9.5685 9.5685 9.8074 9.8074 k = 0.4474 0.1870 0.0000 ( 6148 PWs) bands (ev): -20.4038 -20.4038 -20.3956 -20.3956 -20.2556 -20.2556 -19.9772 -19.9772 -7.1837 -7.1837 -7.1406 -7.1406 -6.9919 -6.9919 -6.6168 -6.6168 -5.5083 -5.5083 -5.1811 -5.1811 -5.0778 -5.0778 -5.0152 -5.0152 -4.9147 -4.9147 -4.8146 -4.8146 -4.6590 -4.6590 -4.1953 -4.1953 -1.4781 -1.4781 -1.2299 -1.2299 5.4758 5.4758 6.2988 6.2988 6.4260 6.4260 6.5177 6.5177 6.7879 6.7879 7.2438 7.2438 7.4258 7.4258 8.0126 8.0126 8.3203 8.3203 8.9875 8.9875 9.5942 9.5942 9.8468 9.8468 k = 0.4737 0.1980 0.0000 ( 6132 PWs) bands (ev): -20.4018 -20.4018 -20.3977 -20.3977 -20.2556 -20.2556 -19.9772 -19.9772 -7.1837 -7.1837 -7.1412 -7.1412 -6.9907 -6.9907 -6.6173 -6.6173 -5.5084 -5.5084 -5.1814 -5.1814 -5.0781 -5.0781 -5.0128 -5.0128 -4.9136 -4.9136 -4.8154 -4.8154 -4.6620 -4.6620 -4.1954 -4.1954 -1.4750 -1.4750 -1.2316 -1.2316 5.4731 5.4731 6.2961 6.2961 6.4229 6.4229 6.5706 6.5706 6.7289 6.7289 7.2455 7.2455 7.4286 7.4286 8.0073 8.0073 8.3209 8.3209 8.9905 8.9905 9.6090 9.6090 9.8668 9.8668 k = 0.5000 0.2090 0.0000 ( 6124 PWs) bands (ev): -20.3999 -20.3999 -20.3997 -20.3997 -20.2555 -20.2555 -19.9772 -19.9772 -7.1837 -7.1837 -7.1413 -7.1413 -6.9903 -6.9903 -6.6175 -6.6175 -5.5085 -5.5085 -5.1814 -5.1814 -5.0782 -5.0782 -5.0119 -5.0119 -4.9132 -4.9132 -4.8156 -4.8156 -4.6630 -4.6630 -4.1954 -4.1954 -1.4740 -1.4740 -1.2322 -1.2322 5.4722 5.4722 6.2952 6.2952 6.4219 6.4219 6.6022 6.6022 6.6951 6.6951 7.2460 7.2460 7.4296 7.4296 8.0055 8.0055 8.3212 8.3212 8.9916 8.9916 9.6138 9.6138 9.8735 9.8735 k = 0.5000 0.2090 0.0000 ( 6124 PWs) bands (ev): -20.3999 -20.3999 -20.3997 -20.3997 -20.2555 -20.2555 -19.9772 -19.9772 -7.1837 -7.1837 -7.1413 -7.1413 -6.9903 -6.9903 -6.6175 -6.6175 -5.5085 -5.5085 -5.1814 -5.1814 -5.0782 -5.0782 -5.0119 -5.0119 -4.9132 -4.9132 -4.8156 -4.8156 -4.6630 -4.6630 -4.1954 -4.1954 -1.4740 -1.4740 -1.2322 -1.2322 5.4722 5.4722 6.2952 6.2952 6.4219 6.4219 6.6022 6.6022 6.6951 6.6951 7.2460 7.2460 7.4296 7.4296 8.0055 8.0055 8.3212 8.3212 8.9916 8.9916 9.6138 9.6138 9.8735 9.8735 k = 0.4919 0.2285 0.0211 ( 6146 PWs) bands (ev): -20.3999 -20.3999 -20.3996 -20.3996 -20.2554 -20.2554 -19.9774 -19.9774 -7.1834 -7.1834 -7.1413 -7.1413 -6.9905 -6.9905 -6.6178 -6.6178 -5.5080 -5.5080 -5.1814 -5.1814 -5.0786 -5.0786 -5.0116 -5.0116 -4.9141 -4.9141 -4.8153 -4.8153 -4.6630 -4.6630 -4.1965 -4.1965 -1.4732 -1.4732 -1.2321 -1.2321 5.4740 5.4740 6.2883 6.2883 6.4109 6.4109 6.6201 6.6201 6.6976 6.6976 7.2395 7.2395 7.4217 7.4217 8.0151 8.0151 8.3252 8.3252 8.9941 8.9941 9.6098 9.6098 9.8718 9.8718 k = 0.4837 0.2480 0.0423 ( 6144 PWs) bands (ev): -20.3998 -20.3998 -20.3995 -20.3995 -20.2550 -20.2550 -19.9780 -19.9780 -7.1822 -7.1822 -7.1410 -7.1410 -6.9909 -6.9909 -6.6187 -6.6187 -5.5065 -5.5065 -5.1813 -5.1813 -5.0800 -5.0800 -5.0107 -5.0107 -4.9169 -4.9169 -4.8143 -4.8143 -4.6629 -4.6629 -4.1998 -4.1998 -1.4707 -1.4707 -1.2317 -1.2317 5.4793 5.4793 6.2664 6.2664 6.3904 6.3904 6.6617 6.6617 6.7055 6.7055 7.2198 7.2198 7.4007 7.4007 8.0417 8.0417 8.3371 8.3371 9.0014 9.0014 9.5975 9.5975 9.8681 9.8681 k = 0.4756 0.2675 0.0634 ( 6142 PWs) bands (ev): -20.3997 -20.3997 -20.3992 -20.3992 -20.2544 -20.2544 -19.9790 -19.9790 -7.1804 -7.1804 -7.1406 -7.1406 -6.9917 -6.9917 -6.6203 -6.6203 -5.5040 -5.5040 -5.1812 -5.1812 -5.0820 -5.0820 -5.0093 -5.0093 -4.9213 -4.9213 -4.8127 -4.8127 -4.6627 -4.6627 -4.2052 -4.2052 -1.4667 -1.4667 -1.2312 -1.2312 5.4881 5.4881 6.2303 6.2303 6.3736 6.3736 6.7044 6.7044 6.7268 6.7268 7.1866 7.1866 7.3722 7.3722 8.0811 8.0811 8.3567 8.3567 9.0130 9.0130 9.5770 9.5770 9.8658 9.8658 k = 0.4674 0.2870 0.0845 ( 6140 PWs) bands (ev): -20.3995 -20.3995 -20.3988 -20.3988 -20.2534 -20.2534 -19.9804 -19.9804 -7.1778 -7.1778 -7.1400 -7.1400 -6.9928 -6.9928 -6.6224 -6.6224 -5.5005 -5.5005 -5.1810 -5.1810 -5.0848 -5.0848 -5.0075 -5.0075 -4.9272 -4.9272 -4.8108 -4.8108 -4.6625 -4.6625 -4.2128 -4.2128 -1.4612 -1.4612 -1.2304 -1.2304 5.5003 5.5003 6.1855 6.1855 6.3616 6.3616 6.7249 6.7249 6.7770 6.7770 7.1414 7.1414 7.3410 7.3410 8.1290 8.1290 8.3835 8.3835 9.0280 9.0280 9.5491 9.5491 9.8674 9.8674 k = 0.4593 0.3065 0.1057 ( 6122 PWs) bands (ev): -20.3993 -20.3993 -20.3983 -20.3983 -20.2523 -20.2523 -19.9822 -19.9822 -7.1745 -7.1745 -7.1393 -7.1393 -6.9942 -6.9942 -6.6251 -6.6251 -5.4959 -5.4959 -5.1807 -5.1807 -5.0880 -5.0880 -5.0054 -5.0054 -4.9343 -4.9343 -4.8086 -4.8086 -4.6623 -4.6623 -4.2225 -4.2225 -1.4542 -1.4542 -1.2294 -1.2294 5.5156 5.5156 6.1370 6.1370 6.3523 6.3523 6.7423 6.7423 6.8319 6.8319 7.0885 7.0885 7.3096 7.3096 8.1822 8.1822 8.4171 8.4171 9.0452 9.0452 9.5161 9.5161 9.8738 9.8738 k = 0.4511 0.3259 0.1268 ( 6124 PWs) bands (ev): -20.3990 -20.3990 -20.3978 -20.3978 -20.2508 -20.2508 -19.9844 -19.9844 -7.1706 -7.1706 -7.1383 -7.1383 -6.9959 -6.9959 -6.6284 -6.6284 -5.4905 -5.4905 -5.1803 -5.1803 -5.0916 -5.0916 -5.0032 -5.0032 -4.9424 -4.9424 -4.8064 -4.8064 -4.6621 -4.6621 -4.2341 -4.2341 -1.4458 -1.4458 -1.2283 -1.2283 5.5340 5.5340 6.0879 6.0879 6.3438 6.3438 6.7578 6.7578 6.8823 6.8823 7.0369 7.0369 7.2782 7.2782 8.2388 8.2388 8.4570 8.4570 9.0635 9.0635 9.4806 9.4806 9.8815 9.8815 k = 0.4430 0.3454 0.1479 ( 6132 PWs) bands (ev): -20.3987 -20.3987 -20.3971 -20.3971 -20.2491 -20.2491 -19.9870 -19.9870 -7.1660 -7.1660 -7.1371 -7.1371 -6.9979 -6.9979 -6.6324 -6.6324 -5.4840 -5.4840 -5.1799 -5.1799 -5.0955 -5.0955 -5.0010 -5.0010 -4.9513 -4.9513 -4.8042 -4.8042 -4.6619 -4.6619 -4.2477 -4.2477 -1.4361 -1.4361 -1.2270 -1.2270 5.5552 5.5552 6.0400 6.0400 6.3353 6.3353 6.7632 6.7632 6.9166 6.9166 7.0075 7.0075 7.2467 7.2467 8.2979 8.2979 8.5026 8.5026 9.0816 9.0816 9.4454 9.4454 9.8659 9.8659 k = 0.4348 0.3649 0.1691 ( 6122 PWs) bands (ev): -20.3983 -20.3983 -20.3964 -20.3964 -20.2471 -20.2471 -19.9900 -19.9900 -7.1609 -7.1609 -7.1356 -7.1356 -7.0001 -7.0001 -6.6369 -6.6369 -5.4766 -5.4766 -5.1793 -5.1793 -5.0996 -5.0996 -4.9989 -4.9989 -4.9608 -4.9608 -4.8020 -4.8020 -4.6618 -4.6618 -4.2630 -4.2630 -1.4253 -1.4253 -1.2255 -1.2255 5.5787 5.5787 5.9942 5.9942 6.3267 6.3267 6.7431 6.7431 6.9278 6.9278 7.0238 7.0238 7.2154 7.2154 8.3589 8.3589 8.5536 8.5536 9.0984 9.0984 9.4126 9.4126 9.8300 9.8300 k = 0.4267 0.3844 0.1902 ( 6116 PWs) bands (ev): -20.3980 -20.3980 -20.3956 -20.3956 -20.2448 -20.2448 -19.9933 -19.9933 -7.1554 -7.1554 -7.1336 -7.1336 -7.0026 -7.0026 -6.6421 -6.6421 -5.4682 -5.4682 -5.1787 -5.1787 -5.1037 -5.1037 -4.9971 -4.9971 -4.9706 -4.9706 -4.8000 -4.8000 -4.6618 -4.6618 -4.2801 -4.2801 -1.4133 -1.4133 -1.2239 -1.2239 5.6041 5.6041 5.9511 5.9511 6.3176 6.3176 6.6937 6.6937 6.9463 6.9463 7.0588 7.0588 7.1848 7.1848 8.4216 8.4216 8.6095 8.6095 9.1133 9.1133 9.3841 9.3841 9.7931 9.7931 k = 0.4185 0.4039 0.2113 ( 6112 PWs) bands (ev): -20.3975 -20.3975 -20.3949 -20.3949 -20.2422 -20.2422 -19.9970 -19.9970 -7.1499 -7.1499 -7.1308 -7.1308 -7.0053 -7.0053 -6.6479 -6.6479 -5.4589 -5.4589 -5.1780 -5.1780 -5.1079 -5.1079 -4.9961 -4.9961 -4.9801 -4.9801 -4.7981 -4.7981 -4.6620 -4.6620 -4.2988 -4.2988 -1.4005 -1.4005 -1.2222 -1.2222 5.6310 5.6310 5.9111 5.9111 6.3082 6.3082 6.6285 6.6285 6.9771 6.9771 7.0920 7.0920 7.1573 7.1573 8.4859 8.4859 8.6701 8.6701 9.1258 9.1258 9.3611 9.3611 9.7581 9.7581 k = 0.4104 0.4234 0.2325 ( 6114 PWs) bands (ev): -20.3970 -20.3970 -20.3940 -20.3940 -20.2393 -20.2393 -20.0010 -20.0010 -7.1448 -7.1448 -7.1269 -7.1269 -7.0083 -7.0083 -6.6544 -6.6544 -5.4487 -5.4487 -5.1771 -5.1771 -5.1119 -5.1119 -4.9985 -4.9985 -4.9868 -4.9868 -4.7963 -4.7963 -4.6623 -4.6623 -4.3190 -4.3190 -1.3868 -1.3868 -1.2204 -1.2204 5.6586 5.6586 5.8746 5.8746 6.2984 6.2984 6.5578 6.5578 7.0102 7.0102 7.1125 7.1125 7.1442 7.1442 8.5516 8.5516 8.7351 8.7351 9.1357 9.1357 9.3440 9.3440 9.7251 9.7251 k = 0.4022 0.4429 0.2536 ( 6106 PWs) bands (ev): -20.3965 -20.3965 -20.3932 -20.3932 -20.2362 -20.2362 -20.0054 -20.0054 -7.1405 -7.1405 -7.1213 -7.1213 -7.0114 -7.0114 -6.6614 -6.6614 -5.4376 -5.4376 -5.1761 -5.1761 -5.1159 -5.1159 -5.0066 -5.0066 -4.9880 -4.9880 -4.7946 -4.7946 -4.6628 -4.6628 -4.3404 -4.3404 -1.3726 -1.3726 -1.2186 -1.2186 5.6857 5.6857 5.8420 5.8420 6.2882 6.2882 6.4869 6.4869 7.0264 7.0264 7.1223 7.1223 7.1581 7.1581 8.6184 8.6184 8.8041 8.8041 9.1436 9.1436 9.3329 9.3329 9.6943 9.6943 k = 0.3941 0.4624 0.2747 ( 6102 PWs) bands (ev): -20.3960 -20.3960 -20.3924 -20.3924 -20.2327 -20.2327 -20.0101 -20.0101 -7.1373 -7.1373 -7.1139 -7.1139 -7.0147 -7.0147 -6.6691 -6.6691 -5.4258 -5.4258 -5.1750 -5.1750 -5.1197 -5.1197 -5.0169 -5.0169 -4.9874 -4.9874 -4.7929 -4.7929 -4.6635 -4.6635 -4.3631 -4.3631 -1.3578 -1.3578 -1.2167 -1.2167 5.7109 5.7109 5.8140 5.8140 6.2775 6.2775 6.4189 6.4189 7.0131 7.0131 7.1483 7.1483 7.1832 7.1832 8.6859 8.6859 8.8769 8.8769 9.1503 9.1503 9.3274 9.3274 9.6654 9.6654 k = 0.3859 0.4819 0.2959 ( 6096 PWs) bands (ev): -20.3954 -20.3954 -20.3916 -20.3916 -20.2289 -20.2289 -20.0151 -20.0151 -7.1347 -7.1347 -7.1052 -7.1052 -7.0181 -7.0181 -6.6773 -6.6773 -5.4132 -5.4132 -5.1738 -5.1738 -5.1233 -5.1233 -5.0277 -5.0277 -4.9864 -4.9864 -4.7912 -4.7912 -4.6645 -4.6645 -4.3868 -4.3868 -1.3428 -1.3428 -1.2148 -1.2148 5.7306 5.7306 5.7924 5.7924 6.2655 6.2655 6.3571 6.3571 6.9866 6.9866 7.1629 7.1629 7.2298 7.2298 8.7530 8.7530 8.9532 8.9532 9.1573 9.1573 9.3263 9.3263 9.6381 9.6381 k = 0.3778 0.5014 0.3170 ( 6096 PWs) bands (ev): -20.3948 -20.3948 -20.3909 -20.3909 -20.2248 -20.2248 -20.0203 -20.0203 -7.1324 -7.1324 -7.0955 -7.0955 -7.0217 -7.0217 -6.6862 -6.6862 -5.3999 -5.3999 -5.1724 -5.1724 -5.1266 -5.1266 -5.0384 -5.0384 -4.9856 -4.9856 -4.7896 -4.7896 -4.6659 -4.6659 -4.4114 -4.4114 -1.3276 -1.3276 -1.2128 -1.2128 5.7376 5.7376 5.7825 5.7825 6.2496 6.2496 6.3068 6.3068 6.9564 6.9564 7.1638 7.1638 7.2906 7.2906 8.8180 8.8180 9.0325 9.0325 9.1668 9.1668 9.3281 9.3281 9.6122 9.6122 k = 0.3696 0.5209 0.3381 ( 6088 PWs) bands (ev): -20.3942 -20.3942 -20.3902 -20.3902 -20.2204 -20.2204 -20.0259 -20.0259 -7.1303 -7.1303 -7.0850 -7.0850 -7.0254 -7.0254 -6.6957 -6.6957 -5.3860 -5.3860 -5.1710 -5.1710 -5.1296 -5.1296 -5.0488 -5.0488 -4.9849 -4.9849 -4.7879 -4.7879 -4.6675 -4.6675 -4.4367 -4.4367 -1.3125 -1.3125 -1.2109 -1.2109 5.7301 5.7301 5.7836 5.7836 6.2250 6.2250 6.2760 6.2760 6.9254 6.9254 7.1562 7.1562 7.3579 7.3579 8.8777 8.8777 9.1143 9.1143 9.1823 9.1823 9.3312 9.3312 9.5872 9.5872 k = 0.3615 0.5404 0.3593 ( 6096 PWs) bands (ev): -20.3935 -20.3935 -20.3896 -20.3896 -20.2157 -20.2157 -20.0317 -20.0317 -7.1283 -7.1283 -7.0737 -7.0737 -7.0292 -7.0292 -6.7057 -6.7057 -5.3717 -5.3717 -5.1694 -5.1694 -5.1323 -5.1323 -5.0589 -5.0589 -4.9844 -4.9844 -4.7861 -4.7861 -4.6695 -4.6695 -4.4625 -4.4625 -1.2975 -1.2975 -1.2090 -1.2090 5.7190 5.7190 5.7818 5.7818 6.1978 6.1978 6.2613 6.2613 6.8945 6.8945 7.1417 7.1417 7.4296 7.4296 8.9279 8.9279 9.1963 9.1963 9.2098 9.2098 9.3347 9.3347 9.5627 9.5627 k = 0.3533 0.5599 0.3804 ( 6092 PWs) bands (ev): -20.3929 -20.3929 -20.3890 -20.3890 -20.2107 -20.2107 -20.0378 -20.0378 -7.1263 -7.1263 -7.0619 -7.0619 -7.0330 -7.0330 -6.7163 -6.7163 -5.3571 -5.3571 -5.1679 -5.1679 -5.1345 -5.1345 -5.0683 -5.0683 -4.9841 -4.9841 -4.7843 -4.7843 -4.6720 -4.6720 -4.4887 -4.4887 -1.2829 -1.2829 -1.2071 -1.2071 5.7095 5.7095 5.7700 5.7700 6.1791 6.1791 6.2536 6.2536 6.8643 6.8643 7.1215 7.1215 7.5045 7.5045 8.9645 8.9645 9.2477 9.2477 9.2792 9.2792 9.3415 9.3415 9.5385 9.5385 k = 0.3452 0.5794 0.4015 ( 6086 PWs) bands (ev): -20.3922 -20.3922 -20.3885 -20.3885 -20.2055 -20.2055 -20.0441 -20.0441 -7.1244 -7.1244 -7.0495 -7.0495 -7.0367 -7.0367 -6.7274 -6.7274 -5.3424 -5.3424 -5.1664 -5.1664 -5.1362 -5.1362 -5.0767 -5.0767 -4.9840 -4.9840 -4.7823 -4.7823 -4.6749 -4.6749 -4.5149 -4.5149 -1.2689 -1.2689 -1.2052 -1.2052 5.7030 5.7030 5.7478 5.7478 6.1708 6.1708 6.2502 6.2502 6.8351 6.8351 7.0968 7.0968 7.5820 7.5820 8.9873 8.9873 9.3019 9.3019 9.3189 9.3189 9.3882 9.3882 9.5143 9.5143 k = 0.3370 0.5989 0.4227 ( 6094 PWs) bands (ev): -20.3914 -20.3914 -20.3881 -20.3881 -20.1999 -20.1999 -20.0506 -20.0506 -7.1225 -7.1225 -7.0412 -7.0412 -7.0360 -7.0360 -6.7389 -6.7389 -5.3279 -5.3279 -5.1652 -5.1652 -5.1374 -5.1374 -5.0839 -5.0839 -4.9841 -4.9841 -4.7802 -4.7802 -4.6783 -4.6783 -4.5409 -4.5409 -1.2556 -1.2556 -1.2034 -1.2034 5.6996 5.6996 5.7178 5.7178 6.1699 6.1699 6.2513 6.2513 6.8072 6.8072 7.0684 7.0684 7.6613 7.6613 8.9994 8.9994 9.3157 9.3157 9.3702 9.3702 9.4706 9.4706 9.4912 9.4912 k = 0.3289 0.6184 0.4438 ( 6086 PWs) bands (ev): -20.3907 -20.3907 -20.3878 -20.3878 -20.1941 -20.1941 -20.0573 -20.0573 -7.1206 -7.1206 -7.0447 -7.0447 -7.0230 -7.0230 -6.7510 -6.7510 -5.3139 -5.3139 -5.1643 -5.1643 -5.1381 -5.1381 -5.0893 -5.0893 -4.9843 -4.9843 -4.7780 -4.7780 -4.6825 -4.6825 -4.5663 -4.5663 -1.2431 -1.2431 -1.2016 -1.2016 5.6814 5.6814 5.7013 5.7013 6.1720 6.1720 6.2574 6.2574 6.7805 6.7805 7.0374 7.0374 7.7417 7.7417 9.0048 9.0048 9.3075 9.3075 9.4350 9.4350 9.4725 9.4725 9.5594 9.5594 k = 0.3207 0.6379 0.4649 ( 6088 PWs) bands (ev): -20.3900 -20.3900 -20.3876 -20.3876 -20.1881 -20.1881 -20.0642 -20.0642 -7.1187 -7.1187 -7.0485 -7.0485 -7.0093 -7.0093 -6.7634 -6.7634 -5.3008 -5.3008 -5.1640 -5.1640 -5.1386 -5.1386 -5.0924 -5.0924 -4.9845 -4.9845 -4.7757 -4.7757 -4.6878 -4.6878 -4.5907 -4.5907 -1.2318 -1.2318 -1.1998 -1.1998 5.6450 5.6450 5.7047 5.7047 6.1743 6.1743 6.2684 6.2684 6.7554 6.7554 7.0045 7.0045 7.8224 7.8224 9.0061 9.0061 9.2951 9.2951 9.4303 9.4303 9.5277 9.5277 9.6454 9.6454 k = 0.3126 0.6574 0.4861 ( 6090 PWs) bands (ev): -20.3892 -20.3892 -20.3875 -20.3875 -20.1818 -20.1818 -20.0712 -20.0712 -7.1168 -7.1168 -7.0522 -7.0522 -6.9952 -6.9952 -6.7762 -6.7762 -5.2889 -5.2889 -5.1644 -5.1644 -5.1390 -5.1390 -5.0925 -5.0925 -4.9848 -4.9848 -4.7732 -4.7732 -4.6945 -4.6945 -4.6131 -4.6131 -1.2216 -1.2216 -1.1980 -1.1980 5.6087 5.6087 5.7119 5.7119 6.1758 6.1758 6.2827 6.2827 6.7319 6.7319 6.9707 6.9707 7.9024 7.9024 9.0049 9.0049 9.2793 9.2793 9.4033 9.4033 9.6051 9.6051 9.7283 9.7283 k = 0.3044 0.6769 0.5072 ( 6088 PWs) bands (ev): -20.3885 -20.3885 -20.3875 -20.3875 -20.1754 -20.1754 -20.0783 -20.0783 -7.1149 -7.1149 -7.0558 -7.0558 -6.9809 -6.9809 -6.7893 -6.7893 -5.2786 -5.2786 -5.1656 -5.1656 -5.1394 -5.1394 -5.0893 -5.0893 -4.9851 -4.9851 -4.7707 -4.7707 -4.7033 -4.7033 -4.6328 -4.6328 -1.2130 -1.2130 -1.1960 -1.1960 5.5742 5.5742 5.7224 5.7224 6.1768 6.1768 6.2985 6.2985 6.7100 6.7100 6.9365 6.9365 7.9805 7.9805 9.0021 9.0021 9.2609 9.2609 9.3737 9.3737 9.6831 9.6831 9.8056 9.8056 k = 0.2963 0.6964 0.5283 ( 6104 PWs) bands (ev): -20.3878 -20.3878 -20.3876 -20.3876 -20.1687 -20.1687 -20.0856 -20.0856 -7.1131 -7.1131 -7.0594 -7.0594 -6.9664 -6.9664 -6.8026 -6.8026 -5.2702 -5.2702 -5.1674 -5.1674 -5.1397 -5.1397 -5.0832 -5.0832 -4.9851 -4.9851 -4.7683 -4.7683 -4.7148 -4.7148 -4.6486 -4.6486 -1.2060 -1.2060 -1.1938 -1.1938 5.5427 5.5427 5.7361 5.7361 6.1779 6.1779 6.3140 6.3140 6.6898 6.6898 6.9029 6.9029 8.0554 8.0554 8.9985 8.9985 9.2402 9.2402 9.3425 9.3425 9.7592 9.7592 9.8751 9.8751 k = 0.2881 0.7159 0.5495 ( 6098 PWs) bands (ev): -20.3878 -20.3878 -20.3870 -20.3870 -20.1619 -20.1619 -20.0929 -20.0929 -7.1113 -7.1113 -7.0627 -7.0627 -6.9519 -6.9519 -6.8159 -6.8159 -5.2639 -5.2639 -5.1700 -5.1700 -5.1395 -5.1395 -5.0747 -5.0747 -4.9848 -4.9848 -4.7662 -4.7662 -4.7284 -4.7284 -4.6604 -4.6604 -1.2010 -1.2010 -1.1912 -1.1912 5.5149 5.5149 5.7527 5.7527 6.1795 6.1795 6.3279 6.3279 6.6713 6.6713 6.8702 6.8702 8.1250 8.1250 8.9947 8.9947 9.2174 9.2174 9.3100 9.3100 9.8319 9.8319 9.9345 9.9345 k = 0.2800 0.7354 0.5706 ( 6100 PWs) bands (ev): -20.3881 -20.3881 -20.3863 -20.3863 -20.1549 -20.1549 -20.1002 -20.1002 -7.1095 -7.1095 -7.0660 -7.0660 -6.9377 -6.9377 -6.8291 -6.8291 -5.2595 -5.2595 -5.1730 -5.1730 -5.1389 -5.1389 -5.0647 -5.0647 -4.9838 -4.9838 -4.7656 -4.7656 -4.7420 -4.7420 -4.6689 -4.6689 -1.1977 -1.1977 -1.1886 -1.1886 5.4911 5.4911 5.7721 5.7721 6.1820 6.1820 6.3393 6.3393 6.6544 6.6544 6.8392 6.8392 8.1872 8.1872 8.9916 8.9916 9.1929 9.1929 9.2764 9.2764 9.8998 9.8998 9.9823 9.9823 k = 0.2718 0.7549 0.5917 ( 6100 PWs) bands (ev): -20.3884 -20.3884 -20.3855 -20.3855 -20.1479 -20.1479 -20.1076 -20.1076 -7.1078 -7.1078 -7.0690 -7.0690 -6.9242 -6.9242 -6.8416 -6.8416 -5.2568 -5.2568 -5.1766 -5.1766 -5.1378 -5.1378 -5.0545 -5.0545 -4.9819 -4.9819 -4.7701 -4.7701 -4.7502 -4.7502 -4.6749 -4.6749 -1.1954 -1.1954 -1.1867 -1.1867 5.4718 5.4718 5.7940 5.7940 6.1854 6.1854 6.3477 6.3477 6.6390 6.6390 6.8105 6.8105 8.2392 8.2392 8.9905 8.9905 9.1670 9.1670 9.2419 9.2419 9.9614 9.9614 10.0181 10.0181 k = 0.2718 0.7549 0.5917 ( 6100 PWs) bands (ev): -20.3884 -20.3884 -20.3855 -20.3855 -20.1479 -20.1479 -20.1076 -20.1076 -7.1078 -7.1078 -7.0690 -7.0690 -6.9242 -6.9242 -6.8416 -6.8416 -5.2568 -5.2568 -5.1766 -5.1766 -5.1378 -5.1378 -5.0545 -5.0545 -4.9819 -4.9819 -4.7701 -4.7701 -4.7502 -4.7502 -4.6749 -4.6749 -1.1954 -1.1954 -1.1867 -1.1867 5.4718 5.4718 5.7940 5.7940 6.1854 6.1854 6.3477 6.3477 6.6390 6.6390 6.8105 6.8105 8.2392 8.2392 8.9905 8.9905 9.1670 9.1670 9.2419 9.2419 9.9614 9.9614 10.0181 10.0181 k = 0.2446 0.7497 0.5974 ( 6102 PWs) bands (ev): -20.3886 -20.3886 -20.3853 -20.3853 -20.1459 -20.1459 -20.1096 -20.1096 -7.1073 -7.1073 -7.0698 -7.0698 -6.9209 -6.9209 -6.8446 -6.8446 -5.2561 -5.2561 -5.1789 -5.1789 -5.1364 -5.1364 -5.0517 -5.0517 -4.9812 -4.9812 -4.7731 -4.7731 -4.7504 -4.7504 -4.6763 -4.6763 -1.1949 -1.1949 -1.1864 -1.1864 5.4676 5.4676 5.8001 5.8001 6.1868 6.1868 6.3507 6.3507 6.6347 6.6347 6.8016 6.8016 8.2522 8.2522 8.9916 8.9916 9.1588 9.1588 9.2325 9.2325 9.9763 9.9763 10.0237 10.0237 k = 0.2175 0.7445 0.6031 ( 6101 PWs) bands (ev): -20.3888 -20.3888 -20.3850 -20.3850 -20.1440 -20.1440 -20.1115 -20.1115 -7.1068 -7.1068 -7.0708 -7.0708 -6.9178 -6.9178 -6.8473 -6.8473 -5.2551 -5.2551 -5.1833 -5.1833 -5.1333 -5.1333 -5.0489 -5.0489 -4.9803 -4.9803 -4.7773 -4.7773 -4.7493 -4.7493 -4.6777 -4.6777 -1.1945 -1.1945 -1.1862 -1.1862 5.4641 5.4641 5.8060 5.8060 6.1888 6.1888 6.3561 6.3561 6.6294 6.6294 6.7898 6.7898 8.2664 8.2664 8.9947 8.9947 9.1491 9.1491 9.2233 9.2233 9.9886 9.9886 10.0251 10.0251 k = 0.1903 0.7393 0.6087 ( 6088 PWs) bands (ev): -20.3891 -20.3891 -20.3847 -20.3847 -20.1422 -20.1422 -20.1135 -20.1135 -7.1062 -7.1062 -7.0718 -7.0718 -6.9150 -6.9150 -6.8497 -6.8497 -5.2537 -5.2537 -5.1890 -5.1890 -5.1293 -5.1293 -5.0463 -5.0463 -4.9792 -4.9792 -4.7822 -4.7822 -4.7475 -4.7475 -4.6792 -4.6792 -1.1941 -1.1941 -1.1862 -1.1862 5.4613 5.4613 5.8113 5.8113 6.1913 6.1913 6.3640 6.3640 6.6231 6.6231 6.7758 6.7758 8.2812 8.2812 8.9994 8.9994 9.1388 9.1388 9.2148 9.2148 9.9960 9.9960 10.0242 10.0242 k = 0.1631 0.7340 0.6144 ( 6084 PWs) bands (ev): -20.3893 -20.3893 -20.3844 -20.3844 -20.1403 -20.1403 -20.1154 -20.1154 -7.1055 -7.1055 -7.0729 -7.0729 -6.9126 -6.9126 -6.8518 -6.8518 -5.2519 -5.2519 -5.1952 -5.1952 -5.1249 -5.1249 -5.0441 -5.0441 -4.9778 -4.9778 -4.7872 -4.7872 -4.7453 -4.7453 -4.6807 -4.6807 -1.1937 -1.1937 -1.1863 -1.1863 5.4592 5.4592 5.8158 5.8158 6.1940 6.1940 6.3743 6.3743 6.6157 6.6157 6.7607 6.7607 8.2959 8.2959 9.0053 9.0053 9.1290 9.1290 9.2074 9.2074 9.9963 9.9963 10.0231 10.0231 k = 0.1359 0.7288 0.6200 ( 6077 PWs) bands (ev): -20.3895 -20.3895 -20.3842 -20.3842 -20.1384 -20.1384 -20.1173 -20.1173 -7.1049 -7.1049 -7.0740 -7.0740 -6.9104 -6.9104 -6.8535 -6.8535 -5.2496 -5.2496 -5.2016 -5.2016 -5.1207 -5.1207 -5.0425 -5.0425 -4.9761 -4.9761 -4.7921 -4.7921 -4.7431 -4.7431 -4.6821 -4.6821 -1.1932 -1.1932 -1.1866 -1.1866 5.4576 5.4576 5.8195 5.8195 6.1969 6.1969 6.3866 6.3866 6.6072 6.6072 6.7454 6.7454 8.3098 8.3098 9.0116 9.0116 9.1205 9.1205 9.2011 9.2011 9.9908 9.9908 10.0210 10.0210 k = 0.1087 0.7236 0.6257 ( 6085 PWs) bands (ev): -20.3897 -20.3897 -20.3840 -20.3840 -20.1366 -20.1366 -20.1192 -20.1192 -7.1043 -7.1043 -7.0750 -7.0750 -6.9087 -6.9087 -6.8549 -6.8549 -5.2469 -5.2469 -5.2080 -5.2080 -5.1169 -5.1169 -5.0415 -5.0415 -4.9742 -4.9742 -4.7965 -4.7965 -4.7409 -4.7409 -4.6835 -4.6835 -1.1927 -1.1927 -1.1870 -1.1870 5.4565 5.4565 5.8223 5.8223 6.1995 6.1995 6.4004 6.4004 6.5974 6.5974 6.7312 6.7312 8.3221 8.3221 9.0173 9.0173 9.1144 9.1144 9.1961 9.1961 9.9829 9.9829 10.0162 10.0162 k = 0.0815 0.7184 0.6314 ( 6074 PWs) bands (ev): -20.3898 -20.3898 -20.3838 -20.3838 -20.1348 -20.1348 -20.1209 -20.1209 -7.1037 -7.1037 -7.0759 -7.0759 -6.9073 -6.9073 -6.8561 -6.8561 -5.2437 -5.2437 -5.2141 -5.2141 -5.1137 -5.1137 -5.0409 -5.0409 -4.9724 -4.9724 -4.8003 -4.8003 -4.7390 -4.7390 -4.6847 -4.6847 -1.1922 -1.1922 -1.1875 -1.1875 5.4557 5.4557 5.8243 5.8243 6.2018 6.2018 6.4147 6.4147 6.5868 6.5868 6.7191 6.7191 8.3322 8.3322 9.0214 9.0214 9.1110 9.1110 9.1923 9.1923 9.9751 9.9751 10.0089 10.0089 k = 0.0544 0.7131 0.6370 ( 6072 PWs) bands (ev): -20.3899 -20.3899 -20.3837 -20.3837 -20.1332 -20.1332 -20.1226 -20.1226 -7.1033 -7.1033 -7.0766 -7.0766 -6.9062 -6.9062 -6.8569 -6.8569 -5.2401 -5.2401 -5.2200 -5.2200 -5.1112 -5.1112 -5.0406 -5.0406 -4.9709 -4.9709 -4.8032 -4.8032 -4.7375 -4.7375 -4.6856 -4.6856 -1.1917 -1.1917 -1.1880 -1.1880 5.4553 5.4553 5.8256 5.8256 6.2036 6.2036 6.4280 6.4280 6.5764 6.5764 6.7100 6.7100 8.3398 8.3398 9.0238 9.0238 9.1100 9.1100 9.1897 9.1897 9.9688 9.9688 10.0010 10.0010 k = 0.0272 0.7079 0.6427 ( 6074 PWs) bands (ev): -20.3900 -20.3900 -20.3836 -20.3836 -20.1319 -20.1319 -20.1238 -20.1238 -7.1030 -7.1030 -7.0770 -7.0770 -6.9056 -6.9056 -6.8573 -6.8573 -5.2361 -5.2361 -5.2252 -5.2252 -5.1097 -5.1097 -5.0405 -5.0405 -4.9699 -4.9699 -4.8050 -4.8050 -4.7365 -4.7365 -4.6862 -4.6862 -1.1913 -1.1913 -1.1884 -1.1884 5.4551 5.4551 5.8264 5.8264 6.2047 6.2047 6.4379 6.4379 6.5683 6.5683 6.7044 6.7044 8.3445 8.3445 9.0248 9.0248 9.1103 9.1103 9.1882 9.1882 9.9648 9.9648 9.9950 9.9950 k = 0.0000 0.7027 0.6484 ( 6072 PWs) bands (ev): -20.3900 -20.3900 -20.3836 -20.3836 -20.1314 -20.1314 -20.1244 -20.1244 -7.1029 -7.1029 -7.0772 -7.0772 -6.9054 -6.9054 -6.8575 -6.8575 -5.2332 -5.2332 -5.2286 -5.2286 -5.1092 -5.1092 -5.0405 -5.0405 -4.9696 -4.9696 -4.8056 -4.8056 -4.7362 -4.7362 -4.6864 -4.6864 -1.1911 -1.1911 -1.1886 -1.1886 5.4550 5.4550 5.8266 5.8266 6.2051 6.2051 6.4417 6.4417 6.5651 6.5651 6.7026 6.7026 8.3461 8.3461 9.0250 9.0250 9.1105 9.1105 9.1876 9.1876 9.9634 9.9634 9.9928 9.9928 k = 0.0000 0.7027 0.6484 ( 6072 PWs) bands (ev): -20.3900 -20.3900 -20.3836 -20.3836 -20.1314 -20.1314 -20.1244 -20.1244 -7.1029 -7.1029 -7.0772 -7.0772 -6.9054 -6.9054 -6.8575 -6.8575 -5.2332 -5.2332 -5.2286 -5.2286 -5.1092 -5.1092 -5.0405 -5.0405 -4.9696 -4.9696 -4.8056 -4.8056 -4.7362 -4.7362 -4.6864 -4.6864 -1.1911 -1.1911 -1.1886 -1.1886 5.4550 5.4550 5.8266 5.8266 6.2051 6.2051 6.4417 6.4417 6.5651 6.5651 6.7026 6.7026 8.3461 8.3461 9.0250 9.0250 9.1105 9.1105 9.1876 9.1876 9.9634 9.9634 9.9928 9.9928 k = 0.0081 0.6834 0.6693 ( 6072 PWs) bands (ev): -20.3900 -20.3900 -20.3836 -20.3836 -20.1314 -20.1314 -20.1244 -20.1244 -7.1029 -7.1029 -7.0772 -7.0772 -6.9059 -6.9059 -6.8580 -6.8580 -5.2366 -5.2366 -5.2260 -5.2260 -5.1096 -5.1096 -5.0406 -5.0406 -4.9698 -4.9698 -4.8058 -4.8058 -4.7356 -4.7356 -4.6840 -4.6840 -1.1920 -1.1920 -1.1883 -1.1883 5.4564 5.4564 5.8280 5.8280 6.2059 6.2059 6.4394 6.4394 6.5667 6.5667 6.7029 6.7029 8.3473 8.3473 9.0216 9.0216 9.0895 9.0895 9.2121 9.2121 9.8996 9.8996 10.0577 10.0577 k = 0.0161 0.6641 0.6902 ( 6078 PWs) bands (ev): -20.3899 -20.3899 -20.3835 -20.3835 -20.1314 -20.1314 -20.1244 -20.1244 -7.1029 -7.1029 -7.0774 -7.0774 -6.9073 -6.9073 -6.8596 -6.8596 -5.2421 -5.2421 -5.2230 -5.2230 -5.1110 -5.1110 -5.0411 -5.0411 -4.9703 -4.9703 -4.8066 -4.8066 -4.7329 -4.7329 -4.6771 -4.6771 -1.1943 -1.1943 -1.1880 -1.1880 5.4606 5.4606 5.8320 5.8320 6.2083 6.2083 6.4332 6.4332 6.5711 6.5711 6.7041 6.7041 8.3507 8.3507 9.0049 9.0049 9.0619 9.0619 9.2565 9.2565 9.8251 9.8251 10.1355 10.1355 k = 0.0242 0.6448 0.7111 ( 6080 PWs) bands (ev): -20.3898 -20.3898 -20.3835 -20.3835 -20.1313 -20.1313 -20.1244 -20.1244 -7.1029 -7.1029 -7.0777 -7.0777 -6.9095 -6.9095 -6.8622 -6.8622 -5.2482 -5.2482 -5.2213 -5.2213 -5.1126 -5.1126 -5.0419 -5.0419 -4.9711 -4.9711 -4.8089 -4.8089 -4.7267 -4.7267 -4.6671 -4.6671 -1.1979 -1.1979 -1.1878 -1.1878 5.4676 5.4676 5.8386 5.8386 6.2123 6.2123 6.4239 6.4239 6.5774 6.5774 6.7061 6.7061 8.3565 8.3565 8.9678 8.9678 9.0509 9.0509 9.3049 9.3049 9.7527 9.7527 10.2126 10.2126 k = 0.0323 0.6255 0.7320 ( 6080 PWs) bands (ev): -20.3896 -20.3896 -20.3835 -20.3835 -20.1312 -20.1312 -20.1245 -20.1245 -7.1030 -7.1030 -7.0780 -7.0780 -6.9127 -6.9127 -6.8657 -6.8657 -5.2545 -5.2545 -5.2213 -5.2213 -5.1140 -5.1140 -5.0432 -5.0432 -4.9720 -4.9720 -4.8129 -4.8129 -4.7165 -4.7165 -4.6547 -4.6547 -1.2028 -1.2028 -1.1876 -1.1876 5.4772 5.4772 5.8478 5.8478 6.2176 6.2176 6.4126 6.4126 6.5846 6.5846 6.7090 6.7090 8.3643 8.3643 8.9212 8.9212 9.0482 9.0482 9.3542 9.3542 9.6835 9.6835 10.2863 10.2863 k = 0.0403 0.6062 0.7529 ( 6076 PWs) bands (ev): -20.3895 -20.3895 -20.3834 -20.3834 -20.1311 -20.1311 -20.1245 -20.1245 -7.1031 -7.1031 -7.0785 -7.0785 -6.9167 -6.9167 -6.8702 -6.8702 -5.2611 -5.2611 -5.2233 -5.2233 -5.1146 -5.1146 -5.0448 -5.0448 -4.9728 -4.9728 -4.8184 -4.8184 -4.7024 -4.7024 -4.6407 -4.6407 -1.2089 -1.2089 -1.1874 -1.1874 5.4895 5.4895 5.8593 5.8593 6.2243 6.2243 6.4003 6.4003 6.5919 6.5919 6.7128 6.7128 8.3742 8.3742 8.8721 8.8721 9.0476 9.0476 9.4031 9.4031 9.6186 9.6186 10.3502 10.3502 k = 0.0484 0.5869 0.7738 ( 6080 PWs) bands (ev): -20.3892 -20.3892 -20.3834 -20.3834 -20.1310 -20.1310 -20.1246 -20.1246 -7.1032 -7.1032 -7.0791 -7.0791 -6.9215 -6.9215 -6.8756 -6.8756 -5.2679 -5.2679 -5.2270 -5.2270 -5.1141 -5.1141 -5.0468 -5.0468 -4.9735 -4.9735 -4.8248 -4.8248 -4.6852 -4.6852 -4.6254 -4.6254 -1.2161 -1.2161 -1.1873 -1.1873 5.5043 5.5043 5.8730 5.8730 6.2320 6.2320 6.3877 6.3877 6.5989 6.5989 6.7176 6.7176 8.3858 8.3858 8.8222 8.8222 9.0471 9.0471 9.4488 9.4488 9.5612 9.5612 10.3866 10.3866 k = 0.0565 0.5676 0.7948 ( 6082 PWs) bands (ev): -20.3890 -20.3890 -20.3833 -20.3833 -20.1309 -20.1309 -20.1247 -20.1247 -7.1034 -7.1034 -7.0798 -7.0798 -6.9270 -6.9270 -6.8818 -6.8818 -5.2750 -5.2750 -5.2321 -5.2321 -5.1124 -5.1124 -5.0490 -5.0490 -4.9743 -4.9743 -4.8317 -4.8317 -4.6658 -4.6658 -4.6092 -4.6092 -1.2244 -1.2244 -1.1871 -1.1871 5.5214 5.5214 5.8886 5.8886 6.2406 6.2406 6.3754 6.3754 6.6053 6.6053 6.7233 6.7233 8.3989 8.3989 8.7725 8.7725 9.0458 9.0458 9.4676 9.4676 9.5355 9.5355 10.3698 10.3698 k = 0.0645 0.5483 0.8157 ( 6078 PWs) bands (ev): -20.3887 -20.3887 -20.3832 -20.3832 -20.1307 -20.1307 -20.1248 -20.1248 -7.1036 -7.1036 -7.0805 -7.0805 -6.9331 -6.9331 -6.8886 -6.8886 -5.2826 -5.2826 -5.2379 -5.2379 -5.1097 -5.1097 -5.0515 -5.0515 -4.9750 -4.9750 -4.8386 -4.8386 -4.6448 -4.6448 -4.5922 -4.5922 -1.2338 -1.2338 -1.1869 -1.1869 5.5407 5.5407 5.9058 5.9058 6.2497 6.2497 6.3641 6.3641 6.6112 6.6112 6.7299 6.7299 8.4132 8.4132 8.7234 8.7234 9.0430 9.0430 9.4312 9.4312 9.5699 9.5699 10.3100 10.3100 k = 0.0726 0.5290 0.8366 ( 6078 PWs) bands (ev): -20.3883 -20.3883 -20.3831 -20.3831 -20.1306 -20.1306 -20.1249 -20.1249 -7.1040 -7.1040 -7.0812 -7.0812 -6.9398 -6.9398 -6.8962 -6.8962 -5.2906 -5.2906 -5.2438 -5.2438 -5.1064 -5.1064 -5.0542 -5.0542 -4.9759 -4.9759 -4.8455 -4.8455 -4.6226 -4.6226 -4.5745 -4.5745 -1.2441 -1.2441 -1.1868 -1.1868 5.5620 5.5620 5.9242 5.9242 6.2590 6.2590 6.3544 6.3544 6.6165 6.6165 6.7372 6.7372 8.4283 8.4283 8.6752 8.6752 9.0383 9.0383 9.3872 9.3872 9.6168 9.6168 10.2393 10.2393 k = 0.0806 0.5097 0.8575 ( 6074 PWs) bands (ev): -20.3880 -20.3880 -20.3830 -20.3830 -20.1304 -20.1304 -20.1250 -20.1250 -7.1045 -7.1045 -7.0819 -7.0819 -6.9471 -6.9471 -6.9042 -6.9042 -5.2992 -5.2992 -5.2493 -5.2493 -5.1025 -5.1025 -5.0570 -5.0570 -4.9769 -4.9769 -4.8522 -4.8522 -4.5997 -4.5997 -4.5564 -4.5564 -1.2552 -1.2552 -1.1866 -1.1866 5.5851 5.5851 5.9432 5.9432 6.2682 6.2682 6.3470 6.3470 6.6217 6.6217 6.7450 6.7450 8.4435 8.4435 8.6280 8.6280 9.0311 9.0311 9.3474 9.3474 9.6634 9.6634 10.1727 10.1727 k = 0.0887 0.4904 0.8784 ( 6074 PWs) bands (ev): -20.3876 -20.3876 -20.3829 -20.3829 -20.1302 -20.1302 -20.1251 -20.1251 -7.1052 -7.1052 -7.0826 -7.0826 -6.9547 -6.9547 -6.9127 -6.9127 -5.3083 -5.3083 -5.2540 -5.2540 -5.0985 -5.0985 -5.0598 -5.0598 -4.9781 -4.9781 -4.8586 -4.8586 -4.5765 -4.5765 -4.5380 -4.5380 -1.2669 -1.2669 -1.1864 -1.1864 5.6098 5.6098 5.9622 5.9622 6.2768 6.2768 6.3425 6.3425 6.6269 6.6269 6.7530 6.7530 8.4582 8.4582 8.5823 8.5823 9.0210 9.0210 9.3139 9.3139 9.7055 9.7055 10.1164 10.1164 k = 0.0968 0.4711 0.8993 ( 6078 PWs) bands (ev): -20.3872 -20.3872 -20.3828 -20.3828 -20.1300 -20.1300 -20.1253 -20.1253 -7.1061 -7.1061 -7.0833 -7.0833 -6.9626 -6.9626 -6.9216 -6.9216 -5.3178 -5.3178 -5.2578 -5.2578 -5.0945 -5.0945 -5.0625 -5.0625 -4.9795 -4.9795 -4.8645 -4.8645 -4.5531 -4.5531 -4.5192 -4.5192 -1.2793 -1.2793 -1.1861 -1.1861 5.6357 5.6357 5.9804 5.9804 6.2848 6.2848 6.3413 6.3413 6.6324 6.6324 6.7612 6.7612 8.4713 8.4713 8.5389 8.5389 9.0077 9.0077 9.2877 9.2877 9.7373 9.7373 10.0769 10.0769 k = 0.1048 0.4518 0.9202 ( 6076 PWs) bands (ev): -20.3868 -20.3868 -20.3827 -20.3827 -20.1298 -20.1298 -20.1254 -20.1254 -7.1072 -7.1072 -7.0838 -7.0838 -6.9708 -6.9708 -6.9306 -6.9306 -5.3275 -5.3275 -5.2607 -5.2607 -5.0906 -5.0906 -5.0653 -5.0653 -4.9812 -4.9812 -4.8701 -4.8701 -4.5300 -4.5300 -4.5004 -4.5004 -1.2921 -1.2921 -1.1859 -1.1859 5.6628 5.6628 5.9972 5.9972 6.2926 6.2926 6.3434 6.3434 6.6386 6.6386 6.7694 6.7694 8.4757 8.4757 8.5043 8.5043 8.9910 8.9910 9.2692 9.2692 9.7512 9.7512 10.0612 10.0612 k = 0.1129 0.4325 0.9412 ( 6080 PWs) bands (ev): -20.3864 -20.3864 -20.3826 -20.3826 -20.1296 -20.1296 -20.1255 -20.1255 -7.1087 -7.1087 -7.0841 -7.0841 -6.9792 -6.9792 -6.9398 -6.9398 -5.3372 -5.3372 -5.2628 -5.2628 -5.0871 -5.0871 -5.0678 -5.0678 -4.9829 -4.9829 -4.8752 -4.8752 -4.5073 -4.5073 -4.4816 -4.4816 -1.3052 -1.3052 -1.1856 -1.1856 5.6906 5.6906 6.0117 6.0117 6.3009 6.3009 6.3484 6.3484 6.6456 6.6456 6.7773 6.7773 8.4467 8.4467 8.5030 8.5030 8.9708 8.9708 9.2589 9.2589 9.7441 9.7441 10.0518 10.0518 k = 0.1210 0.4132 0.9621 ( 6082 PWs) bands (ev): -20.3860 -20.3860 -20.3825 -20.3825 -20.1294 -20.1294 -20.1257 -20.1257 -7.1104 -7.1104 -7.0843 -7.0843 -6.9875 -6.9875 -6.9490 -6.9490 -5.3467 -5.3467 -5.2640 -5.2640 -5.0842 -5.0842 -5.0702 -5.0702 -4.9848 -4.9848 -4.8799 -4.8799 -4.4852 -4.4852 -4.4627 -4.4627 -1.3185 -1.3185 -1.1854 -1.1854 5.7189 5.7189 6.0234 6.0234 6.3098 6.3098 6.3564 6.3564 6.6536 6.6536 6.7849 6.7849 8.4083 8.4083 8.5109 8.5109 8.9473 8.9473 9.2568 9.2568 9.7218 9.7218 10.0105 10.0105 k = 0.1290 0.3939 0.9830 ( 6088 PWs) bands (ev): -20.3855 -20.3855 -20.3823 -20.3823 -20.1292 -20.1292 -20.1258 -20.1258 -7.1125 -7.1125 -7.0843 -7.0843 -6.9959 -6.9959 -6.9580 -6.9580 -5.3559 -5.3559 -5.2646 -5.2646 -5.0822 -5.0822 -5.0721 -5.0721 -4.9866 -4.9866 -4.8841 -4.8841 -4.4641 -4.4641 -4.4441 -4.4441 -1.3318 -1.3318 -1.1851 -1.1851 5.7474 5.7474 6.0321 6.0321 6.3186 6.3186 6.3678 6.3678 6.6628 6.6628 6.7921 6.7921 8.3704 8.3704 8.5180 8.5180 8.9208 8.9208 9.2624 9.2624 9.6927 9.6927 9.9687 9.9687 k = 0.1371 0.3746 1.0039 ( 6084 PWs) bands (ev): -20.3851 -20.3851 -20.3822 -20.3822 -20.1290 -20.1290 -20.1260 -20.1260 -7.1148 -7.1148 -7.0841 -7.0841 -7.0041 -7.0041 -6.9669 -6.9669 -5.3646 -5.3646 -5.2644 -5.2644 -5.0813 -5.0813 -5.0734 -5.0734 -4.9883 -4.9883 -4.8880 -4.8880 -4.4440 -4.4440 -4.4256 -4.4256 -1.3450 -1.3450 -1.1849 -1.1849 5.7758 5.7758 6.0380 6.0380 6.3257 6.3257 6.3836 6.3836 6.6729 6.6729 6.7987 6.7987 8.3341 8.3341 8.5239 8.5239 8.8918 8.8918 9.2750 9.2750 9.6622 9.6622 9.9300 9.9300 k = 0.1452 0.3553 1.0248 ( 6080 PWs) bands (ev): -20.3847 -20.3847 -20.3821 -20.3821 -20.1288 -20.1288 -20.1261 -20.1261 -7.1173 -7.1173 -7.0838 -7.0838 -7.0121 -7.0121 -6.9756 -6.9756 -5.3729 -5.3729 -5.2638 -5.2638 -5.0818 -5.0818 -5.0740 -5.0740 -4.9898 -4.9898 -4.8914 -4.8914 -4.4251 -4.4251 -4.4074 -4.4074 -1.3580 -1.3580 -1.1846 -1.1846 5.8038 5.8038 6.0414 6.0414 6.3304 6.3304 6.4041 6.4041 6.6841 6.6841 6.8046 6.8046 8.2995 8.2995 8.5287 8.5287 8.8610 8.8610 9.2936 9.2936 9.6328 9.6328 9.8953 9.8953 k = 0.1532 0.3360 1.0457 ( 6084 PWs) bands (ev): -20.3843 -20.3843 -20.3820 -20.3820 -20.1286 -20.1286 -20.1262 -20.1262 -7.1201 -7.1201 -7.0833 -7.0833 -7.0198 -7.0198 -6.9838 -6.9838 -5.3806 -5.3806 -5.2626 -5.2626 -5.0832 -5.0832 -5.0744 -5.0744 -4.9908 -4.9908 -4.8946 -4.8946 -4.4075 -4.4075 -4.3897 -4.3897 -1.3706 -1.3706 -1.1843 -1.1843 5.8312 5.8312 6.0430 6.0430 6.3327 6.3327 6.4283 6.4283 6.6959 6.6959 6.8099 6.8099 8.2669 8.2669 8.5328 8.5328 8.8290 8.8290 9.3166 9.3166 9.6057 9.6057 9.8651 9.8651 k = 0.1613 0.3167 1.0666 ( 6086 PWs) bands (ev): -20.3839 -20.3839 -20.3819 -20.3819 -20.1284 -20.1284 -20.1264 -20.1264 -7.1230 -7.1230 -7.0827 -7.0827 -7.0272 -7.0272 -6.9917 -6.9917 -5.3877 -5.3877 -5.2609 -5.2609 -5.0850 -5.0850 -5.0750 -5.0750 -4.9914 -4.9914 -4.8974 -4.8974 -4.3913 -4.3913 -4.3727 -4.3727 -1.3827 -1.3827 -1.1841 -1.1841 5.8576 5.8576 6.0433 6.0433 6.3331 6.3331 6.4550 6.4550 6.7082 6.7082 6.8144 6.8144 8.2362 8.2362 8.5366 8.5366 8.7966 8.7966 9.3424 9.3424 9.5813 9.5813 9.8402 9.8402 k = 0.1694 0.2975 1.0876 ( 6084 PWs) bands (ev): -20.3835 -20.3835 -20.3818 -20.3818 -20.1282 -20.1282 -20.1265 -20.1265 -7.1260 -7.1260 -7.0819 -7.0819 -7.0341 -7.0341 -6.9990 -6.9990 -5.3942 -5.3942 -5.2590 -5.2590 -5.0869 -5.0869 -5.0762 -5.0762 -4.9916 -4.9916 -4.9000 -4.9000 -4.3763 -4.3763 -4.3566 -4.3566 -1.3942 -1.3942 -1.1838 -1.1838 5.8828 5.8828 6.0427 6.0427 6.3320 6.3320 6.4831 6.4831 6.7207 6.7207 6.8181 6.8181 8.2077 8.2077 8.5405 8.5405 8.7646 8.7646 9.3689 9.3689 9.5595 9.5595 9.8214 9.8214 k = 0.1774 0.2782 1.1085 ( 6082 PWs) bands (ev): -20.3831 -20.3831 -20.3817 -20.3817 -20.1280 -20.1280 -20.1266 -20.1266 -7.1289 -7.1289 -7.0811 -7.0811 -7.0405 -7.0405 -7.0059 -7.0059 -5.4001 -5.4001 -5.2567 -5.2567 -5.0889 -5.0889 -5.0777 -5.0777 -4.9912 -4.9912 -4.9023 -4.9023 -4.3626 -4.3626 -4.3416 -4.3416 -1.4050 -1.4050 -1.1836 -1.1836 5.9066 5.9066 6.0416 6.0416 6.3299 6.3299 6.5118 6.5118 6.7331 6.7331 6.8209 6.8209 8.1815 8.1815 8.5448 8.5448 8.7337 8.7337 9.3942 9.3942 9.5402 9.5402 9.8096 9.8096 k = 0.1855 0.2589 1.1294 ( 6092 PWs) bands (ev): -20.3828 -20.3828 -20.3816 -20.3816 -20.1278 -20.1278 -20.1267 -20.1267 -7.1319 -7.1319 -7.0803 -7.0803 -7.0463 -7.0463 -7.0122 -7.0122 -5.4054 -5.4054 -5.2543 -5.2543 -5.0911 -5.0911 -5.0796 -5.0796 -4.9906 -4.9906 -4.9044 -4.9044 -4.3502 -4.3502 -4.3279 -4.3279 -1.4150 -1.4150 -1.1833 -1.1833 5.9286 5.9286 6.0403 6.0403 6.3269 6.3269 6.5401 6.5401 6.7449 6.7449 6.8228 6.8228 8.1575 8.1575 8.5495 8.5495 8.7044 8.7044 9.4163 9.4163 9.5234 9.5234 9.8054 9.8054 k = 0.1935 0.2396 1.1503 ( 6090 PWs) bands (ev): -20.3825 -20.3825 -20.3815 -20.3815 -20.1277 -20.1277 -20.1268 -20.1268 -7.1347 -7.1347 -7.0795 -7.0795 -7.0515 -7.0515 -7.0180 -7.0180 -5.4100 -5.4100 -5.2518 -5.2518 -5.0933 -5.0933 -5.0815 -5.0815 -4.9896 -4.9896 -4.9064 -4.9064 -4.3392 -4.3392 -4.3155 -4.3155 -1.4240 -1.4240 -1.1831 -1.1831 5.9487 5.9487 6.0390 6.0390 6.3235 6.3235 6.5675 6.5675 6.7561 6.7561 6.8238 6.8238 8.1361 8.1361 8.5546 8.5546 8.6773 8.6773 9.4338 9.4338 9.5088 9.5088 9.8088 9.8088 k = 0.2016 0.2203 1.1712 ( 6084 PWs) bands (ev): -20.3822 -20.3822 -20.3814 -20.3814 -20.1276 -20.1276 -20.1269 -20.1269 -7.1372 -7.1372 -7.0789 -7.0789 -7.0557 -7.0557 -7.0231 -7.0231 -5.4140 -5.4140 -5.2493 -5.2493 -5.0956 -5.0956 -5.0833 -5.0833 -4.9885 -4.9885 -4.9080 -4.9080 -4.3295 -4.3295 -4.3046 -4.3046 -1.4320 -1.4320 -1.1829 -1.1829 5.9666 5.9666 6.0379 6.0379 6.3198 6.3198 6.5934 6.5934 6.7662 6.7662 6.8239 6.8239 8.1171 8.1171 8.5600 8.5600 8.6529 8.6529 9.4461 9.4461 9.4963 9.4963 9.8190 9.8190 k = 0.2097 0.2010 1.1921 ( 6086 PWs) bands (ev): -20.3820 -20.3820 -20.3814 -20.3814 -20.1274 -20.1274 -20.1270 -20.1270 -7.1396 -7.1396 -7.0785 -7.0785 -7.0591 -7.0591 -7.0277 -7.0277 -5.4173 -5.4173 -5.2468 -5.2468 -5.0979 -5.0979 -5.0849 -5.0849 -4.9874 -4.9874 -4.9095 -4.9095 -4.3212 -4.3212 -4.2952 -4.2952 -1.4389 -1.4389 -1.1828 -1.1828 5.9822 5.9822 6.0369 6.0369 6.3161 6.3161 6.6170 6.6170 6.7752 6.7752 6.8232 6.8232 8.1009 8.1009 8.5654 8.5654 8.6317 8.6317 9.4538 9.4538 9.4859 9.4859 9.8338 9.8338 k = 0.2177 0.1817 1.2130 ( 6088 PWs) bands (ev): -20.3818 -20.3818 -20.3813 -20.3813 -20.1274 -20.1274 -20.1270 -20.1270 -7.1415 -7.1415 -7.0784 -7.0784 -7.0614 -7.0614 -7.0317 -7.0317 -5.4201 -5.4201 -5.2447 -5.2447 -5.1002 -5.1002 -5.0862 -5.0862 -4.9863 -4.9863 -4.9108 -4.9108 -4.3144 -4.3144 -4.2875 -4.2875 -1.4447 -1.4447 -1.1826 -1.1826 5.9950 5.9950 6.0363 6.0363 6.3126 6.3126 6.6378 6.6378 6.7827 6.7827 6.8219 6.8219 8.0874 8.0874 8.5704 8.5704 8.6138 8.6138 9.4578 9.4578 9.4776 9.4776 9.8508 9.8508 k = 0.2258 0.1624 1.2340 ( 6084 PWs) bands (ev): -20.3816 -20.3816 -20.3813 -20.3813 -20.1273 -20.1273 -20.1271 -20.1271 -7.1431 -7.1431 -7.0787 -7.0787 -7.0627 -7.0627 -7.0349 -7.0349 -5.4222 -5.4222 -5.2428 -5.2428 -5.1022 -5.1022 -5.0871 -5.0871 -4.9854 -4.9854 -4.9118 -4.9118 -4.3091 -4.3091 -4.2814 -4.2814 -1.4492 -1.4492 -1.1825 -1.1825 6.0050 6.0050 6.0361 6.0361 6.3097 6.3097 6.6553 6.6553 6.7886 6.7886 6.8202 6.8202 8.0769 8.0769 8.5747 8.5747 8.5997 8.5997 9.4595 9.4595 9.4712 9.4712 9.8671 9.8671 k = 0.2339 0.1431 1.2549 ( 6078 PWs) bands (ev): -20.3815 -20.3815 -20.3812 -20.3812 -20.1272 -20.1272 -20.1271 -20.1271 -7.1443 -7.1443 -7.0791 -7.0791 -7.0633 -7.0633 -7.0374 -7.0374 -5.4237 -5.4237 -5.2414 -5.2414 -5.1037 -5.1037 -5.0878 -5.0878 -4.9847 -4.9847 -4.9125 -4.9125 -4.3052 -4.3052 -4.2771 -4.2771 -1.4525 -1.4525 -1.1824 -1.1824 6.0118 6.0118 6.0364 6.0364 6.3074 6.3074 6.6685 6.6685 6.7927 6.7927 6.8185 6.8185 8.0692 8.0692 8.5780 8.5780 8.5896 8.5896 9.4597 9.4597 9.4670 9.4670 9.8805 9.8805 k = 0.2419 0.1238 1.2758 ( 6072 PWs) bands (ev): -20.3815 -20.3815 -20.3812 -20.3812 -20.1272 -20.1272 -20.1271 -20.1271 -7.1450 -7.1450 -7.0795 -7.0795 -7.0634 -7.0634 -7.0389 -7.0389 -5.4246 -5.4246 -5.2405 -5.2405 -5.1047 -5.1047 -5.0882 -5.0882 -4.9842 -4.9842 -4.9130 -4.9130 -4.3029 -4.3029 -4.2744 -4.2744 -1.4545 -1.4545 -1.1824 -1.1824 6.0157 6.0157 6.0368 6.0368 6.3059 6.3059 6.6769 6.6769 6.7952 6.7952 6.8172 6.8172 8.0646 8.0646 8.5796 8.5796 8.5838 8.5838 9.4592 9.4592 9.4647 9.4647 9.8893 9.8893 k = 0.2500 0.1045 1.2967 ( 6068 PWs) bands (ev): -20.3814 -20.3814 -20.3812 -20.3812 -20.1272 -20.1272 -20.1271 -20.1271 -7.1453 -7.1453 -7.0796 -7.0796 -7.0634 -7.0634 -7.0395 -7.0395 -5.4249 -5.4249 -5.2402 -5.2402 -5.1050 -5.1050 -5.0883 -5.0883 -4.9841 -4.9841 -4.9131 -4.9131 -4.3022 -4.3022 -4.2736 -4.2736 -1.4551 -1.4551 -1.1824 -1.1824 6.0170 6.0170 6.0370 6.0370 6.3054 6.3054 6.6797 6.6797 6.7960 6.7960 6.8168 6.8168 8.0631 8.0631 8.5795 8.5795 8.5826 8.5826 9.4589 9.4589 9.4641 9.4641 9.8923 9.8923 k = 0.2500 0.1045 1.2967 ( 6068 PWs) bands (ev): -20.3814 -20.3814 -20.3812 -20.3812 -20.1272 -20.1272 -20.1271 -20.1271 -7.1453 -7.1453 -7.0796 -7.0796 -7.0634 -7.0634 -7.0395 -7.0395 -5.4249 -5.4249 -5.2402 -5.2402 -5.1050 -5.1050 -5.0883 -5.0883 -4.9841 -4.9841 -4.9131 -4.9131 -4.3022 -4.3022 -4.2736 -4.2736 -1.4551 -1.4551 -1.1824 -1.1824 6.0170 6.0170 6.0370 6.0370 6.3054 6.3054 6.6797 6.6797 6.7960 6.7960 6.8168 6.8168 8.0631 8.0631 8.5795 8.5795 8.5826 8.5826 9.4589 9.4589 9.4641 9.4641 9.8923 9.8923 k = 0.2750 0.1149 1.2854 ( 6079 PWs) bands (ev): -20.3815 -20.3815 -20.3812 -20.3812 -20.1272 -20.1272 -20.1271 -20.1271 -7.1453 -7.1453 -7.0795 -7.0795 -7.0634 -7.0634 -7.0394 -7.0394 -5.4249 -5.4249 -5.2402 -5.2402 -5.1068 -5.1068 -5.0862 -5.0862 -4.9845 -4.9845 -4.9130 -4.9130 -4.3023 -4.3023 -4.2737 -4.2737 -1.4551 -1.4551 -1.1823 -1.1823 6.0123 6.0123 6.0416 6.0416 6.3040 6.3040 6.6814 6.6814 6.7961 6.7961 6.8171 6.8171 8.0613 8.0613 8.5355 8.5355 8.6296 8.6296 9.4405 9.4405 9.4799 9.4799 9.8941 9.8941 k = 0.3000 0.1254 1.2741 ( 6080 PWs) bands (ev): -20.3815 -20.3815 -20.3812 -20.3812 -20.1272 -20.1272 -20.1271 -20.1271 -7.1452 -7.1452 -7.0793 -7.0793 -7.0636 -7.0636 -7.0392 -7.0392 -5.4248 -5.4248 -5.2401 -5.2401 -5.1102 -5.1102 -5.0819 -5.0819 -4.9858 -4.9858 -4.9126 -4.9126 -4.3026 -4.3026 -4.2740 -4.2740 -1.4549 -1.4549 -1.1822 -1.1822 6.0023 6.0023 6.0514 6.0514 6.2995 6.2995 6.6863 6.6863 6.7964 6.7964 6.8183 6.8183 8.0561 8.0561 8.4946 8.4946 8.6792 8.6792 9.4153 9.4153 9.4978 9.4978 9.8989 9.8989 k = 0.3250 0.1358 1.2627 ( 6086 PWs) bands (ev): -20.3815 -20.3815 -20.3812 -20.3812 -20.1274 -20.1274 -20.1270 -20.1270 -7.1450 -7.1450 -7.0788 -7.0788 -7.0638 -7.0638 -7.0388 -7.0388 -5.4246 -5.4246 -5.2400 -5.2400 -5.1140 -5.1140 -5.0767 -5.0767 -4.9880 -4.9880 -4.9118 -4.9118 -4.3032 -4.3032 -4.2746 -4.2746 -1.4546 -1.4546 -1.1820 -1.1820 5.9910 5.9910 6.0622 6.0622 6.2925 6.2925 6.6939 6.6939 6.7967 6.7967 6.8206 6.8206 8.0483 8.0483 8.4580 8.4580 8.7302 8.7302 9.3872 9.3872 9.5143 9.5143 9.9053 9.9053 k = 0.3500 0.1463 1.2514 ( 6084 PWs) bands (ev): -20.3815 -20.3815 -20.3812 -20.3812 -20.1276 -20.1276 -20.1268 -20.1268 -7.1448 -7.1448 -7.0783 -7.0783 -7.0642 -7.0642 -7.0383 -7.0383 -5.4243 -5.4243 -5.2399 -5.2399 -5.1177 -5.1177 -5.0712 -5.0712 -4.9908 -4.9908 -4.9108 -4.9108 -4.3041 -4.3041 -4.2754 -4.2754 -1.4542 -1.4542 -1.1817 -1.1817 5.9794 5.9794 6.0729 6.0729 6.2835 6.2835 6.7032 6.7032 6.7968 6.7968 6.8240 6.8240 8.0388 8.0388 8.4261 8.4261 8.7821 8.7821 9.3563 9.3563 9.5295 9.5295 9.9116 9.9116 k = 0.3750 0.1567 1.2401 ( 6082 PWs) bands (ev): -20.3815 -20.3815 -20.3813 -20.3813 -20.1278 -20.1278 -20.1265 -20.1265 -7.1444 -7.1444 -7.0776 -7.0776 -7.0646 -7.0646 -7.0377 -7.0377 -5.4239 -5.4239 -5.2397 -5.2397 -5.1209 -5.1209 -5.0658 -5.0658 -4.9940 -4.9940 -4.9097 -4.9097 -4.3052 -4.3052 -4.2764 -4.2764 -1.4537 -1.4537 -1.1813 -1.1813 5.9679 5.9679 6.0831 6.0831 6.2734 6.2734 6.7127 6.7127 6.7966 6.7966 6.8287 6.8287 8.0288 8.0288 8.3994 8.3994 8.8342 8.8342 9.3228 9.3228 9.5437 9.5437 9.9158 9.9158 k = 0.4000 0.1672 1.2288 ( 6082 PWs) bands (ev): -20.3815 -20.3815 -20.3813 -20.3813 -20.1281 -20.1281 -20.1262 -20.1262 -7.1440 -7.1440 -7.0769 -7.0769 -7.0650 -7.0650 -7.0369 -7.0369 -5.4233 -5.4233 -5.2396 -5.2396 -5.1236 -5.1236 -5.0609 -5.0609 -4.9973 -4.9973 -4.9086 -4.9086 -4.3066 -4.3066 -4.2776 -4.2776 -1.4530 -1.4530 -1.1809 -1.1809 5.9568 5.9568 6.0924 6.0924 6.2631 6.2631 6.7214 6.7214 6.7962 6.7962 6.8343 6.8343 8.0195 8.0195 8.3782 8.3782 8.8856 8.8856 9.2871 9.2871 9.5568 9.5568 9.9163 9.9163 k = 0.4250 0.1776 1.2174 ( 6074 PWs) bands (ev): -20.3815 -20.3815 -20.3813 -20.3813 -20.1285 -20.1285 -20.1259 -20.1259 -7.1434 -7.1434 -7.0762 -7.0762 -7.0655 -7.0655 -7.0360 -7.0360 -5.4227 -5.4227 -5.2396 -5.2396 -5.1257 -5.1257 -5.0568 -5.0568 -5.0003 -5.0003 -4.9075 -4.9075 -4.3084 -4.3084 -4.2788 -4.2788 -1.4520 -1.4520 -1.1806 -1.1806 5.9463 5.9463 6.1004 6.1004 6.2533 6.2533 6.7285 6.7285 6.7953 6.7953 6.8403 6.8403 8.0122 8.0122 8.3627 8.3627 8.9350 8.9350 9.2502 9.2502 9.5692 9.5692 9.9117 9.9117 k = 0.4500 0.1881 1.2061 ( 6068 PWs) bands (ev): -20.3815 -20.3815 -20.3814 -20.3814 -20.1289 -20.1289 -20.1255 -20.1255 -7.1427 -7.1427 -7.0755 -7.0755 -7.0659 -7.0659 -7.0350 -7.0350 -5.4219 -5.4219 -5.2398 -5.2398 -5.1271 -5.1271 -5.0538 -5.0538 -5.0026 -5.0026 -4.9065 -4.9065 -4.3106 -4.3106 -4.2802 -4.2802 -1.4509 -1.4509 -1.1802 -1.1802 5.9365 5.9365 6.1071 6.1071 6.2445 6.2445 6.7336 6.7336 6.7938 6.7938 6.8457 6.8457 8.0080 8.0080 8.3534 8.3534 8.9797 8.9797 9.2142 9.2142 9.5807 9.5807 9.9012 9.9012 k = 0.4750 0.1985 1.1948 ( 6060 PWs) bands (ev): -20.3815 -20.3815 -20.3815 -20.3815 -20.1294 -20.1294 -20.1250 -20.1250 -7.1419 -7.1419 -7.0750 -7.0750 -7.0661 -7.0661 -7.0338 -7.0338 -5.4210 -5.4210 -5.2401 -5.2401 -5.1277 -5.1277 -5.0523 -5.0523 -5.0037 -5.0037 -4.9057 -4.9057 -4.3131 -4.3131 -4.2816 -4.2816 -1.4495 -1.4495 -1.1799 -1.1799 5.9276 5.9276 6.1122 6.1122 6.2373 6.2373 6.7368 6.7368 6.7916 6.7916 6.8498 6.8498 8.0077 8.0077 8.3502 8.3502 9.0134 9.0134 9.1853 9.1853 9.5914 9.5914 9.8849 9.8849 k = 0.5000 0.2090 1.1835 ( 6062 PWs) bands (ev): -20.3816 -20.3816 -20.3815 -20.3815 -20.1299 -20.1299 -20.1245 -20.1245 -7.1410 -7.1410 -7.0747 -7.0747 -7.0661 -7.0661 -7.0324 -7.0324 -5.4200 -5.4200 -5.2406 -5.2406 -5.1276 -5.1276 -5.0526 -5.0526 -5.0035 -5.0035 -4.9051 -4.9051 -4.3161 -4.3161 -4.2830 -4.2830 -1.4478 -1.4478 -1.1798 -1.1798 5.9197 5.9197 6.1157 6.1157 6.2319 6.2319 6.7381 6.7381 6.7885 6.7885 6.8520 6.8520 8.0118 8.0118 8.3533 8.3533 9.0221 9.0221 9.1770 9.1770 9.6014 9.6014 9.8638 9.8638 k = 0.5000 0.2090 1.1835 ( 6062 PWs) bands (ev): -20.3816 -20.3816 -20.3815 -20.3815 -20.1299 -20.1299 -20.1245 -20.1245 -7.1410 -7.1410 -7.0747 -7.0747 -7.0661 -7.0661 -7.0324 -7.0324 -5.4200 -5.4200 -5.2406 -5.2406 -5.1276 -5.1276 -5.0526 -5.0526 -5.0035 -5.0035 -4.9051 -4.9051 -4.3161 -4.3161 -4.2830 -4.2830 -1.4478 -1.4478 -1.1798 -1.1798 5.9197 5.9197 6.1157 6.1157 6.2319 6.2319 6.7381 6.7381 6.7885 6.7885 6.8520 6.8520 8.0118 8.0118 8.3533 8.3533 9.0221 9.0221 9.1770 9.1770 9.6014 9.6014 9.8638 9.8638 k = 0.5000 0.2090 1.1539 ( 6066 PWs) bands (ev): -20.3818 -20.3818 -20.3816 -20.3816 -20.1315 -20.1315 -20.1229 -20.1229 -7.1385 -7.1385 -7.0745 -7.0745 -7.0654 -7.0654 -7.0280 -7.0280 -5.4168 -5.4168 -5.2424 -5.2424 -5.1261 -5.1261 -5.0553 -5.0553 -5.0015 -5.0015 -4.9035 -4.9035 -4.3261 -4.3261 -4.2865 -4.2865 -1.4425 -1.4425 -1.1794 -1.1794 5.8989 5.8989 6.1234 6.1234 6.2189 6.2189 6.7380 6.7380 6.7791 6.7791 6.8552 6.8552 8.0299 8.0299 8.3716 8.3716 8.9982 8.9982 9.1959 9.1959 9.6295 9.6295 9.7991 9.7991 k = 0.5000 0.2090 1.1243 ( 6064 PWs) bands (ev): -20.3820 -20.3820 -20.3816 -20.3816 -20.1335 -20.1335 -20.1210 -20.1210 -7.1356 -7.1356 -7.0751 -7.0751 -7.0639 -7.0639 -7.0223 -7.0223 -5.4130 -5.4130 -5.2445 -5.2445 -5.1244 -5.1244 -5.0582 -5.0582 -4.9994 -4.9994 -4.9016 -4.9016 -4.3391 -4.3391 -4.2898 -4.2898 -1.4362 -1.4362 -1.1791 -1.1791 5.8756 5.8756 6.1312 6.1312 6.2037 6.2037 6.7363 6.7363 6.7701 6.7701 6.8582 6.8582 8.0518 8.0518 8.3937 8.3937 8.9695 8.9695 9.2188 9.2188 9.6642 9.6642 9.7283 9.7283 k = 0.5000 0.2090 1.0947 ( 6066 PWs) bands (ev): -20.3823 -20.3823 -20.3817 -20.3817 -20.1358 -20.1358 -20.1187 -20.1187 -7.1325 -7.1325 -7.0761 -7.0761 -7.0621 -7.0621 -7.0151 -7.0151 -5.4084 -5.4084 -5.2468 -5.2468 -5.1226 -5.1226 -5.0610 -5.0610 -4.9974 -4.9974 -4.8993 -4.8993 -4.3548 -4.3548 -4.2930 -4.2930 -1.4289 -1.4289 -1.1789 -1.1789 5.8508 5.8508 6.1354 6.1354 6.1897 6.1897 6.7329 6.7329 6.7625 6.7625 6.8601 6.8601 8.0773 8.0773 8.4192 8.4192 8.9361 8.9361 9.2454 9.2454 9.6538 9.6538 9.7060 9.7060 k = 0.5000 0.2090 1.0651 ( 6074 PWs) bands (ev): -20.3826 -20.3826 -20.3817 -20.3817 -20.1384 -20.1384 -20.1160 -20.1160 -7.1293 -7.1293 -7.0774 -7.0774 -7.0602 -7.0602 -7.0064 -7.0064 -5.4030 -5.4030 -5.2494 -5.2494 -5.1209 -5.1209 -5.0636 -5.0636 -4.9956 -4.9956 -4.8967 -4.8967 -4.3728 -4.3728 -4.2961 -4.2961 -1.4206 -1.4206 -1.1789 -1.1789 5.8254 5.8254 6.1272 6.1272 6.1859 6.1859 6.7283 6.7283 6.7567 6.7567 6.8602 6.8602 8.1060 8.1060 8.4479 8.4479 8.8977 8.8977 9.2754 9.2754 9.5795 9.5795 9.7539 9.7539 k = 0.5000 0.2090 1.0355 ( 6078 PWs) bands (ev): -20.3830 -20.3830 -20.3818 -20.3818 -20.1414 -20.1414 -20.1131 -20.1131 -7.1262 -7.1262 -7.0788 -7.0788 -7.0584 -7.0584 -6.9962 -6.9962 -5.3970 -5.3970 -5.2520 -5.2520 -5.1193 -5.1193 -5.0658 -5.0658 -4.9939 -4.9939 -4.8938 -4.8938 -4.3928 -4.3928 -4.2992 -4.2992 -1.4115 -1.4115 -1.1791 -1.1791 5.8003 5.8003 6.1041 6.1041 6.1945 6.1945 6.7227 6.7227 6.7532 6.7532 6.8579 6.8579 8.1379 8.1379 8.4795 8.4795 8.8538 8.8538 9.3083 9.3083 9.5073 9.5073 9.8081 9.8081 k = 0.5000 0.2090 1.0060 ( 6082 PWs) bands (ev): -20.3834 -20.3834 -20.3820 -20.3820 -20.1446 -20.1446 -20.1098 -20.1098 -7.1231 -7.1231 -7.0803 -7.0803 -7.0567 -7.0567 -6.9845 -6.9845 -5.3903 -5.3903 -5.2548 -5.2548 -5.1179 -5.1179 -5.0676 -5.0676 -4.9926 -4.9926 -4.8906 -4.8906 -4.4144 -4.4144 -4.3024 -4.3024 -1.4017 -1.4017 -1.1797 -1.1797 5.7762 5.7762 6.0732 6.0732 6.2090 6.2090 6.7162 6.7162 6.7522 6.7522 6.8527 6.8527 8.1729 8.1729 8.5135 8.5135 8.8036 8.8036 9.3426 9.3426 9.4406 9.4406 9.8680 9.8680 k = 0.5000 0.2090 0.9764 ( 6086 PWs) bands (ev): -20.3839 -20.3839 -20.3821 -20.3821 -20.1481 -20.1481 -20.1063 -20.1063 -7.1203 -7.1203 -7.0817 -7.0817 -7.0552 -7.0552 -6.9714 -6.9714 -5.3830 -5.3830 -5.2576 -5.2576 -5.1169 -5.1169 -5.0688 -5.0688 -4.9916 -4.9916 -4.8871 -4.8871 -4.4372 -4.4372 -4.3057 -4.3057 -1.3913 -1.3913 -1.1807 -1.1807 5.7540 5.7540 6.0379 6.0379 6.2265 6.2265 6.7084 6.7084 6.7537 6.7537 6.8449 6.8449 8.2109 8.2109 8.5497 8.5497 8.7465 8.7465 9.3593 9.3593 9.3997 9.3997 9.9325 9.9325 k = 0.5000 0.2090 0.9468 ( 6100 PWs) bands (ev): -20.3844 -20.3844 -20.3823 -20.3823 -20.1518 -20.1518 -20.1025 -20.1025 -7.1177 -7.1177 -7.0831 -7.0831 -7.0539 -7.0539 -6.9571 -6.9571 -5.3751 -5.3751 -5.2604 -5.2604 -5.1163 -5.1163 -5.0695 -5.0695 -4.9909 -4.9909 -4.8833 -4.8833 -4.4609 -4.4609 -4.3090 -4.3090 -1.3805 -1.3805 -1.1823 -1.1823 5.7340 5.7340 6.0001 6.0001 6.2459 6.2459 6.6993 6.6993 6.7569 6.7569 6.8353 6.8353 8.2518 8.2518 8.5877 8.5877 8.6823 8.6823 9.3143 9.3143 9.4290 9.4290 9.9998 9.9998 k = 0.5000 0.2090 0.9172 ( 6106 PWs) bands (ev): -20.3849 -20.3849 -20.3824 -20.3824 -20.1558 -20.1558 -20.0984 -20.0984 -7.1154 -7.1154 -7.0843 -7.0843 -7.0528 -7.0528 -6.9418 -6.9418 -5.3667 -5.3667 -5.2631 -5.2631 -5.1161 -5.1161 -5.0696 -5.0696 -4.9906 -4.9906 -4.8792 -4.8792 -4.4851 -4.4851 -4.3124 -4.3124 -1.3693 -1.3693 -1.1844 -1.1844 5.7169 5.7169 5.9609 5.9609 6.2668 6.2668 6.6888 6.6888 6.7588 6.7588 6.8267 6.8267 8.2955 8.2955 8.6101 8.6101 8.6284 8.6284 9.2666 9.2666 9.4688 9.4688 10.0667 10.0667 k = 0.5000 0.2090 0.8876 ( 6110 PWs) bands (ev): -20.3854 -20.3854 -20.3827 -20.3827 -20.1600 -20.1600 -20.0941 -20.0941 -7.1136 -7.1136 -7.0853 -7.0853 -7.0518 -7.0518 -6.9257 -6.9257 -5.3581 -5.3581 -5.2656 -5.2656 -5.1162 -5.1162 -5.0692 -5.0692 -4.9906 -4.9906 -4.8747 -4.8747 -4.5094 -4.5094 -4.3159 -4.3159 -1.3579 -1.3579 -1.1873 -1.1873 5.7028 5.7028 5.9214 5.9214 6.2889 6.2889 6.6770 6.6770 6.7546 6.7546 6.8242 6.8242 8.3420 8.3420 8.5336 8.5336 8.6686 8.6686 9.2245 9.2245 9.5097 9.5097 10.1278 10.1278 k = 0.5000 0.2090 0.8580 ( 6112 PWs) bands (ev): -20.3860 -20.3860 -20.3829 -20.3829 -20.1643 -20.1643 -20.0896 -20.0896 -7.1123 -7.1123 -7.0861 -7.0861 -7.0509 -7.0509 -6.9089 -6.9089 -5.3495 -5.3495 -5.2678 -5.2678 -5.1166 -5.1166 -5.0685 -5.0685 -4.9909 -4.9909 -4.8699 -4.8699 -4.5334 -4.5334 -4.3193 -4.3193 -1.3464 -1.3464 -1.1910 -1.1910 5.6922 5.6922 5.8825 5.8825 6.3121 6.3121 6.6638 6.6638 6.7413 6.7413 6.8309 6.8309 8.3909 8.3909 8.4516 8.4516 8.7107 8.7107 9.1876 9.1876 9.5496 9.5496 10.1751 10.1751 k = 0.5000 0.2090 0.8284 ( 6102 PWs) bands (ev): -20.3866 -20.3866 -20.3832 -20.3832 -20.1687 -20.1687 -20.0848 -20.0848 -7.1116 -7.1116 -7.0865 -7.0865 -7.0501 -7.0501 -6.8917 -6.8917 -5.3414 -5.3414 -5.2691 -5.2691 -5.1171 -5.1171 -5.0676 -5.0676 -4.9914 -4.9914 -4.8648 -4.8648 -4.5568 -4.5568 -4.3226 -4.3226 -1.3350 -1.3350 -1.1954 -1.1954 5.6852 5.6852 5.8449 5.8449 6.3364 6.3364 6.6488 6.6488 6.7215 6.7215 6.8447 6.8447 8.3653 8.3653 8.4431 8.4431 8.7537 8.7537 9.1548 9.1548 9.5869 9.5869 10.1986 10.1986 k = 0.5000 0.2090 0.7988 ( 6094 PWs) bands (ev): -20.3872 -20.3872 -20.3835 -20.3835 -20.1733 -20.1733 -20.0799 -20.0799 -7.1115 -7.1115 -7.0868 -7.0868 -7.0492 -7.0492 -6.8742 -6.8742 -5.3345 -5.3345 -5.2692 -5.2692 -5.1177 -5.1177 -5.0667 -5.0667 -4.9921 -4.9921 -4.8593 -4.8593 -4.5792 -4.5792 -4.3259 -4.3259 -1.3238 -1.3238 -1.2007 -1.2007 5.6818 5.6818 5.8094 5.8094 6.3616 6.3616 6.6319 6.6319 6.6989 6.6989 6.8627 6.8627 8.2772 8.2772 8.4970 8.4970 8.7975 8.7975 9.1250 9.1250 9.6200 9.6200 10.1917 10.1917 k = 0.5000 0.2090 0.7693 ( 6100 PWs) bands (ev): -20.3878 -20.3878 -20.3838 -20.3838 -20.1780 -20.1780 -20.0749 -20.0749 -7.1120 -7.1120 -7.0870 -7.0870 -7.0483 -7.0483 -6.8565 -6.8565 -5.3297 -5.3297 -5.2672 -5.2672 -5.1184 -5.1184 -5.0659 -5.0659 -4.9928 -4.9928 -4.8533 -4.8533 -4.6002 -4.6002 -4.3290 -4.3290 -1.3130 -1.3130 -1.2069 -1.2069 5.6819 5.6819 5.7766 5.7766 6.3877 6.3877 6.6124 6.6124 6.6760 6.6760 6.8833 6.8833 8.1876 8.1876 8.5533 8.5533 8.8419 8.8419 9.0973 9.0973 9.6470 9.6470 10.1554 10.1554 k = 0.5000 0.2090 0.7397 ( 6092 PWs) bands (ev): -20.3885 -20.3885 -20.3842 -20.3842 -20.1827 -20.1827 -20.0698 -20.0698 -7.1129 -7.1129 -7.0873 -7.0873 -7.0471 -7.0471 -6.8390 -6.8390 -5.3277 -5.3277 -5.2627 -5.2627 -5.1191 -5.1191 -5.0652 -5.0652 -4.9934 -4.9934 -4.8471 -4.8471 -4.6197 -4.6197 -4.3318 -4.3318 -1.3027 -1.3027 -1.2139 -1.2139 5.6854 5.6854 5.7471 5.7471 6.4144 6.4144 6.5904 6.5904 6.6542 6.6542 6.9056 6.9056 8.0976 8.0976 8.6115 8.6115 8.8866 8.8866 9.0707 9.0707 9.6664 9.6664 10.0965 10.0965 k = 0.5000 0.2090 0.7101 ( 6078 PWs) bands (ev): -20.3891 -20.3891 -20.3847 -20.3847 -20.1875 -20.1875 -20.0645 -20.0645 -7.1142 -7.1142 -7.0879 -7.0879 -7.0456 -7.0456 -6.8216 -6.8216 -5.3287 -5.3287 -5.2558 -5.2558 -5.1198 -5.1198 -5.0647 -5.0647 -4.9937 -4.9937 -4.8404 -4.8404 -4.6373 -4.6373 -4.3343 -4.3343 -1.2930 -1.2930 -1.2217 -1.2217 5.6918 5.6918 5.7214 5.7214 6.4416 6.4416 6.5669 6.5669 6.6343 6.6343 6.9290 6.9290 8.0079 8.0079 8.6713 8.6713 8.9315 8.9315 9.0448 9.0448 9.6774 9.6774 10.0225 10.0225 k = 0.5000 0.2090 0.6805 ( 6070 PWs) bands (ev): -20.3898 -20.3898 -20.3852 -20.3852 -20.1922 -20.1922 -20.0592 -20.0592 -7.1158 -7.1158 -7.0891 -7.0891 -7.0438 -7.0438 -6.8046 -6.8046 -5.3323 -5.3323 -5.2472 -5.2472 -5.1205 -5.1205 -5.0642 -5.0642 -4.9937 -4.9937 -4.8335 -4.8335 -4.6528 -4.6528 -4.3364 -4.3364 -1.2843 -1.2843 -1.2302 -1.2302 5.6974 5.6974 5.7029 5.7029 6.4676 6.4676 6.5448 6.5448 6.6161 6.6161 6.9528 6.9528 7.9192 7.9192 8.7325 8.7325 8.9761 8.9761 9.0192 9.0192 9.6801 9.6801 9.9392 9.9392 k = 0.5000 0.2090 0.6509 ( 6072 PWs) bands (ev): -20.3905 -20.3905 -20.3857 -20.3857 -20.1970 -20.1970 -20.0538 -20.0538 -7.1175 -7.1175 -7.0908 -7.0908 -7.0416 -7.0416 -6.7880 -6.7880 -5.3378 -5.3378 -5.2375 -5.2375 -5.1214 -5.1214 -5.0634 -5.0634 -4.9935 -4.9935 -4.8265 -4.8265 -4.6660 -4.6660 -4.3380 -4.3380 -1.2771 -1.2771 -1.2387 -1.2387 5.6818 5.6818 5.7117 5.7117 6.4853 6.4853 6.5331 6.5331 6.5990 6.5990 6.9765 6.9765 7.8319 7.8319 8.7944 8.7944 8.9928 8.9928 9.0205 9.0205 9.6757 9.6757 9.8511 9.8511 k = 0.5000 0.2090 0.6213 ( 6074 PWs) bands (ev): -20.3911 -20.3911 -20.3863 -20.3863 -20.2016 -20.2016 -20.0484 -20.0484 -7.1194 -7.1194 -7.0931 -7.0931 -7.0391 -7.0391 -6.7721 -6.7721 -5.3450 -5.3450 -5.2276 -5.2276 -5.1224 -5.1224 -5.0620 -5.0620 -4.9929 -4.9929 -4.8195 -4.8195 -4.6769 -4.6769 -4.3389 -4.3389 -1.2729 -1.2729 -1.2459 -1.2459 5.6692 5.6692 5.7227 5.7227 6.4805 6.4805 6.5475 6.5475 6.5830 6.5830 6.9996 6.9996 7.7466 7.7466 8.8562 8.8562 8.9670 8.9670 9.0624 9.0624 9.6658 9.6658 9.7617 9.7617 k = 0.5000 0.2090 0.5917 ( 6076 PWs) bands (ev): -20.3918 -20.3918 -20.3869 -20.3869 -20.2062 -20.2062 -20.0431 -20.0431 -7.1214 -7.1214 -7.0960 -7.0960 -7.0363 -7.0363 -6.7568 -6.7568 -5.3534 -5.3534 -5.2180 -5.2180 -5.1234 -5.1234 -5.0596 -5.0596 -4.9921 -4.9921 -4.8129 -4.8129 -4.6854 -4.6854 -4.3391 -4.3391 -1.2749 -1.2749 -1.2483 -1.2483 5.6614 5.6614 5.7332 5.7332 6.4679 6.4679 6.5632 6.5632 6.5801 6.5801 7.0215 7.0215 7.6636 7.6636 8.9128 8.9128 8.9452 8.9452 9.1007 9.1007 9.6498 9.6498 9.6773 9.6773 k = 0.5000 0.2090 0.5621 ( 6086 PWs) bands (ev): -20.3925 -20.3925 -20.3876 -20.3876 -20.2107 -20.2107 -20.0377 -20.0377 -7.1235 -7.1235 -7.0995 -7.0995 -7.0333 -7.0333 -6.7422 -6.7422 -5.3629 -5.3629 -5.2091 -5.2091 -5.1244 -5.1244 -5.0561 -5.0561 -4.9913 -4.9913 -4.8069 -4.8069 -4.6912 -4.6912 -4.3384 -4.3384 -1.2834 -1.2834 -1.2458 -1.2458 5.6585 5.6585 5.7417 5.7417 6.4589 6.4589 6.5497 6.5497 6.6106 6.6106 7.0414 7.0414 7.5832 7.5832 8.9069 8.9069 8.9837 8.9837 9.1314 9.1314 9.5892 9.5892 9.6434 9.6434 k = 0.5000 0.2090 0.5326 ( 6092 PWs) bands (ev): -20.3931 -20.3931 -20.3883 -20.3883 -20.2150 -20.2150 -20.0325 -20.0325 -7.1256 -7.1256 -7.1034 -7.1034 -7.0302 -7.0302 -6.7284 -6.7284 -5.3732 -5.3732 -5.2011 -5.2011 -5.1252 -5.1252 -5.0513 -5.0513 -4.9905 -4.9905 -4.8019 -4.8019 -4.6945 -4.6945 -4.3366 -4.3366 -1.2948 -1.2948 -1.2419 -1.2419 5.6605 5.6605 5.7470 5.7470 6.4569 6.4569 6.5350 6.5350 6.6450 6.6450 7.0588 7.0588 7.5059 7.5059 8.8786 8.8786 9.0413 9.0413 9.1469 9.1469 9.5243 9.5243 9.6301 9.6301 k = 0.5000 0.2090 0.5030 ( 6096 PWs) bands (ev): -20.3938 -20.3938 -20.3890 -20.3890 -20.2192 -20.2192 -20.0273 -20.0273 -7.1279 -7.1279 -7.1076 -7.1076 -7.0269 -7.0269 -6.7154 -6.7154 -5.3841 -5.3841 -5.1945 -5.1945 -5.1254 -5.1254 -5.0453 -5.0453 -4.9898 -4.9898 -4.7981 -4.7981 -4.6953 -4.6953 -4.3337 -4.3337 -1.3076 -1.3076 -1.2380 -1.2380 5.6672 5.6672 5.7481 5.7481 6.4632 6.4632 6.5210 6.5210 6.6812 6.6812 7.0729 7.0729 7.4320 7.4320 8.8480 8.8480 9.0954 9.0954 9.1369 9.1369 9.4859 9.4859 9.6187 9.6187 k = 0.5000 0.2090 0.4734 ( 6098 PWs) bands (ev): -20.3944 -20.3944 -20.3898 -20.3898 -20.2232 -20.2232 -20.0223 -20.0223 -7.1303 -7.1303 -7.1121 -7.1121 -7.0236 -7.0236 -6.7034 -6.7034 -5.3953 -5.3953 -5.1892 -5.1892 -5.1249 -5.1249 -5.0382 -5.0382 -4.9893 -4.9893 -4.7957 -4.7957 -4.6939 -4.6939 -4.3296 -4.3296 -1.3210 -1.3210 -1.2345 -1.2345 5.6779 5.6779 5.7451 5.7451 6.4758 6.4758 6.5105 6.5105 6.7189 6.7189 7.0829 7.0829 7.3620 7.3620 8.8159 8.8159 9.0890 9.0890 9.1509 9.1509 9.4803 9.4803 9.5870 9.5870 k = 0.5000 0.2090 0.4438 ( 6102 PWs) bands (ev): -20.3950 -20.3950 -20.3906 -20.3906 -20.2270 -20.2270 -20.0174 -20.0174 -7.1329 -7.1329 -7.1166 -7.1166 -7.0203 -7.0203 -6.6921 -6.6921 -5.4068 -5.4068 -5.1853 -5.1853 -5.1235 -5.1235 -5.0302 -5.0302 -4.9890 -4.9890 -4.7944 -4.7944 -4.6909 -4.6909 -4.3240 -4.3240 -1.3348 -1.3348 -1.2317 -1.2317 5.6900 5.6900 5.7407 5.7407 6.4799 6.4799 6.5184 6.5184 6.7579 6.7579 7.0879 7.0879 7.2965 7.2965 8.7821 8.7821 9.0218 9.0218 9.1962 9.1962 9.4978 9.4978 9.5204 9.5204 k = 0.5000 0.2090 0.4142 ( 6102 PWs) bands (ev): -20.3955 -20.3955 -20.3915 -20.3915 -20.2307 -20.2307 -20.0127 -20.0127 -7.1359 -7.1359 -7.1209 -7.1209 -7.0170 -7.0170 -6.6818 -6.6818 -5.4182 -5.4182 -5.1826 -5.1826 -5.1214 -5.1214 -5.0216 -5.0216 -4.9889 -4.9889 -4.7942 -4.7942 -4.6868 -4.6868 -4.3171 -4.3171 -1.3488 -1.3488 -1.2296 -1.2296 5.6945 5.6945 5.7443 5.7443 6.4699 6.4699 6.5491 6.5491 6.7979 6.7979 7.0870 7.0870 7.2365 7.2365 8.7466 8.7466 8.9412 8.9412 9.2365 9.2365 9.4469 9.4469 9.5348 9.5348 k = 0.5000 0.2090 0.3846 ( 6108 PWs) bands (ev): -20.3961 -20.3961 -20.3923 -20.3923 -20.2340 -20.2340 -20.0082 -20.0082 -7.1394 -7.1394 -7.1248 -7.1248 -7.0138 -7.0138 -6.6723 -6.6723 -5.4295 -5.4295 -5.1809 -5.1809 -5.1186 -5.1186 -5.0127 -5.0127 -4.9887 -4.9887 -4.7946 -4.7946 -4.6823 -4.6823 -4.3087 -4.3087 -1.3628 -1.3628 -1.2280 -1.2280 5.6839 5.6839 5.7640 5.7640 6.4574 6.4574 6.5899 6.5899 6.8385 6.8385 7.0791 7.0791 7.1837 7.1837 8.7097 8.7097 8.8548 8.8548 9.2717 9.2717 9.3819 9.3819 9.5748 9.5748 k = 0.5000 0.2090 0.3550 ( 6116 PWs) bands (ev): -20.3966 -20.3966 -20.3932 -20.3932 -20.2372 -20.2372 -20.0040 -20.0040 -7.1435 -7.1435 -7.1280 -7.1280 -7.0107 -7.0107 -6.6637 -6.6637 -5.4403 -5.4403 -5.1800 -5.1800 -5.1152 -5.1152 -5.0044 -5.0044 -4.9879 -4.9879 -4.7956 -4.7956 -4.6779 -4.6779 -4.2992 -4.2992 -1.3766 -1.3766 -1.2270 -1.2270 5.6653 5.6653 5.7939 5.7939 6.4447 6.4447 6.6360 6.6360 6.8783 6.8783 7.0639 7.0639 7.1401 7.1401 8.6713 8.6713 8.7663 8.7663 9.3016 9.3016 9.3236 9.3236 9.6182 9.6182 k = 0.5000 0.2090 0.3255 ( 6100 PWs) bands (ev): -20.3971 -20.3971 -20.3940 -20.3940 -20.2401 -20.2401 -19.9999 -19.9999 -7.1481 -7.1481 -7.1307 -7.1307 -7.0077 -7.0077 -6.6559 -6.6559 -5.4506 -5.4506 -5.1796 -5.1796 -5.1114 -5.1114 -4.9989 -4.9989 -4.9846 -4.9846 -4.7969 -4.7969 -4.6739 -4.6739 -4.2885 -4.2885 -1.3901 -1.3901 -1.2266 -1.2266 5.6432 5.6432 5.8299 5.8299 6.4325 6.4325 6.6842 6.6842 6.9134 6.9134 7.0456 7.0456 7.1070 7.1070 8.6319 8.6319 8.6778 8.6778 9.2668 9.2668 9.3338 9.3338 9.6630 9.6630 k = 0.5000 0.2090 0.2959 ( 6108 PWs) bands (ev): -20.3976 -20.3976 -20.3949 -20.3949 -20.2428 -20.2428 -19.9962 -19.9962 -7.1529 -7.1529 -7.1328 -7.1328 -7.0049 -7.0049 -6.6489 -6.6489 -5.4603 -5.4603 -5.1796 -5.1796 -5.1075 -5.1075 -4.9975 -4.9975 -4.9774 -4.9774 -4.7985 -4.7985 -4.6705 -4.6705 -4.2771 -4.2771 -1.4030 -1.4030 -1.2265 -1.2265 5.6198 5.6198 5.8708 5.8708 6.4209 6.4209 6.7296 6.7296 6.9342 6.9342 7.0359 7.0359 7.0852 7.0852 8.5883 8.5883 8.5942 8.5942 9.2186 9.2186 9.3631 9.3631 9.7078 9.7078 k = 0.5000 0.2090 0.2663 ( 6112 PWs) bands (ev): -20.3980 -20.3980 -20.3957 -20.3957 -20.2452 -20.2452 -19.9927 -19.9927 -7.1578 -7.1578 -7.1346 -7.1346 -7.0023 -7.0023 -6.6427 -6.6427 -5.4692 -5.4692 -5.1797 -5.1797 -5.1034 -5.1034 -4.9981 -4.9981 -4.9684 -4.9684 -4.8003 -4.8003 -4.6678 -4.6678 -4.2652 -4.2652 -1.4153 -1.4153 -1.2268 -1.2268 5.5961 5.5961 5.9158 5.9158 6.4102 6.4102 6.7646 6.7646 6.9354 6.9354 7.0308 7.0308 7.0902 7.0902 8.5047 8.5047 8.5526 8.5526 9.1756 9.1756 9.3936 9.3936 9.7518 9.7518 k = 0.5000 0.2090 0.2367 ( 6118 PWs) bands (ev): -20.3984 -20.3984 -20.3964 -20.3964 -20.2474 -20.2474 -19.9895 -19.9895 -7.1626 -7.1626 -7.1361 -7.1361 -6.9999 -6.9999 -6.6372 -6.6372 -5.4773 -5.4773 -5.1799 -5.1799 -5.0993 -5.0993 -4.9996 -4.9996 -4.9592 -4.9592 -4.8023 -4.8023 -4.6658 -4.6658 -4.2532 -4.2532 -1.4267 -1.4267 -1.2274 -1.2274 5.5731 5.5731 5.9643 5.9643 6.4005 6.4005 6.7801 6.7801 6.9262 6.9262 7.0253 7.0253 7.1257 7.1257 8.4222 8.4222 8.5135 8.5135 9.1376 9.1376 9.4258 9.4258 9.7941 9.7941 k = 0.5000 0.2090 0.2071 ( 6124 PWs) bands (ev): -20.3987 -20.3987 -20.3971 -20.3971 -20.2493 -20.2493 -19.9867 -19.9867 -7.1671 -7.1671 -7.1374 -7.1374 -6.9977 -6.9977 -6.6325 -6.6325 -5.4845 -5.4845 -5.1802 -5.1802 -5.0953 -5.0953 -5.0015 -5.0015 -4.9502 -4.9502 -4.8044 -4.8044 -4.6644 -4.6644 -4.2415 -4.2415 -1.4372 -1.4372 -1.2281 -1.2281 5.5515 5.5515 6.0158 6.0158 6.3921 6.3921 6.7757 6.7757 6.9028 6.9028 7.0412 7.0412 7.1726 7.1726 8.3432 8.3432 8.4758 8.4758 9.1043 9.1043 9.4591 9.4591 9.8305 9.8305 k = 0.5000 0.2090 0.1775 ( 6128 PWs) bands (ev): -20.3990 -20.3990 -20.3978 -20.3978 -20.2510 -20.2510 -19.9842 -19.9842 -7.1713 -7.1713 -7.1385 -7.1385 -6.9958 -6.9958 -6.6284 -6.6284 -5.4908 -5.4908 -5.1805 -5.1805 -5.0914 -5.0914 -5.0035 -5.0035 -4.9416 -4.9416 -4.8066 -4.8066 -4.6635 -4.6635 -4.2305 -4.2305 -1.4465 -1.4465 -1.2289 -1.2289 5.5317 5.5317 6.0693 6.0693 6.3853 6.3853 6.7605 6.7605 6.8649 6.8649 7.0758 7.0758 7.2232 7.2232 8.2685 8.2685 8.4403 8.4403 9.0753 9.0753 9.4928 9.4928 9.8372 9.8372 k = 0.5000 0.2090 0.1479 ( 6124 PWs) bands (ev): -20.3993 -20.3993 -20.3983 -20.3983 -20.2524 -20.2524 -19.9821 -19.9821 -7.1749 -7.1749 -7.1394 -7.1394 -6.9941 -6.9941 -6.6251 -6.6251 -5.4962 -5.4962 -5.1808 -5.1808 -5.0878 -5.0878 -5.0056 -5.0056 -4.9338 -4.9338 -4.8088 -4.8088 -4.6630 -4.6630 -4.2205 -4.2205 -1.4547 -1.4547 -1.2298 -1.2298 5.5143 5.5143 6.1238 6.1238 6.3805 6.3805 6.7423 6.7423 6.8187 6.8187 7.1170 7.1170 7.2740 7.2740 8.1993 8.1993 8.4077 8.4077 9.0505 9.0505 9.5253 9.5253 9.8437 9.8437 k = 0.5000 0.2090 0.1183 ( 6128 PWs) bands (ev): -20.3995 -20.3995 -20.3988 -20.3988 -20.2535 -20.2535 -19.9803 -19.9803 -7.1780 -7.1780 -7.1401 -7.1401 -6.9928 -6.9928 -6.6223 -6.6223 -5.5006 -5.5006 -5.1810 -5.1810 -5.0847 -5.0847 -5.0076 -5.0076 -4.9269 -4.9269 -4.8109 -4.8109 -4.6629 -4.6629 -4.2119 -4.2119 -1.4615 -1.4615 -1.2306 -1.2306 5.4995 5.4995 6.1774 6.1774 6.3787 6.3787 6.7242 6.7242 6.7690 6.7690 7.1575 7.1575 7.3223 7.3223 8.1370 8.1370 8.3789 8.3789 9.0298 9.0298 9.5548 9.5548 9.8515 9.8515 k = 0.5000 0.2090 0.0888 ( 6136 PWs) bands (ev): -20.3997 -20.3997 -20.3992 -20.3992 -20.2544 -20.2544 -19.9790 -19.9790 -7.1805 -7.1805 -7.1406 -7.1406 -6.9917 -6.9917 -6.6202 -6.6202 -5.5041 -5.5041 -5.1812 -5.1812 -5.0820 -5.0820 -5.0093 -5.0093 -4.9211 -4.9211 -4.8128 -4.8128 -4.6629 -4.6629 -4.2048 -4.2048 -1.4669 -1.4669 -1.2312 -1.2312 5.4877 5.4877 6.2267 6.2267 6.3818 6.3818 6.7023 6.7023 6.7241 6.7241 7.1934 7.1934 7.3651 7.3651 8.0837 8.0837 8.3549 8.3549 9.0134 9.0134 9.5796 9.5796 9.8596 9.8596 k = 0.5000 0.2090 0.0592 ( 6140 PWs) bands (ev): -20.3998 -20.3998 -20.3995 -20.3995 -20.2550 -20.2550 -19.9780 -19.9780 -7.1823 -7.1823 -7.1410 -7.1410 -6.9909 -6.9909 -6.6187 -6.6187 -5.5065 -5.5065 -5.1813 -5.1813 -5.0799 -5.0799 -5.0107 -5.0107 -4.9168 -4.9168 -4.8143 -4.8143 -4.6629 -4.6629 -4.1996 -4.1996 -1.4708 -1.4708 -1.2317 -1.2317 5.4791 5.4791 6.2657 6.2657 6.3929 6.3929 6.6600 6.6600 6.7052 6.7052 7.2216 7.2216 7.3993 7.3993 8.0419 8.0419 8.3366 8.3366 9.0014 9.0014 9.5983 9.5983 9.8667 9.8667 k = 0.5000 0.2090 0.0296 ( 6140 PWs) bands (ev): -20.3999 -20.3999 -20.3996 -20.3996 -20.2554 -20.2554 -19.9774 -19.9774 -7.1834 -7.1834 -7.1413 -7.1413 -6.9905 -6.9905 -6.6178 -6.6178 -5.5080 -5.5080 -5.1814 -5.1814 -5.0786 -5.0786 -5.0116 -5.0116 -4.9141 -4.9141 -4.8153 -4.8153 -4.6630 -4.6630 -4.1965 -4.1965 -1.4732 -1.4732 -1.2321 -1.2321 5.4739 5.4739 6.2884 6.2884 6.4112 6.4112 6.6197 6.6197 6.6975 6.6975 7.2398 7.2398 7.4218 7.4218 8.0149 8.0149 8.3251 8.3251 8.9941 8.9941 9.6099 9.6099 9.8717 9.8717 k = 0.5000 0.2090 0.0000 ( 6124 PWs) bands (ev): -20.3999 -20.3999 -20.3997 -20.3997 -20.2555 -20.2555 -19.9772 -19.9772 -7.1837 -7.1837 -7.1413 -7.1413 -6.9903 -6.9903 -6.6175 -6.6175 -5.5085 -5.5085 -5.1814 -5.1814 -5.0782 -5.0782 -5.0119 -5.0119 -4.9132 -4.9132 -4.8156 -4.8156 -4.6630 -4.6630 -4.1954 -4.1954 -1.4740 -1.4740 -1.2322 -1.2322 5.4722 5.4722 6.2952 6.2952 6.4219 6.4219 6.6022 6.6022 6.6951 6.6951 7.2460 7.2460 7.4296 7.4296 8.0055 8.0055 8.3212 8.3212 8.9916 8.9916 9.6138 9.6138 9.8735 9.8735 k = 0.0000 0.0000 1.2967 ( 6050 PWs) bands (ev): -20.3814 -20.3814 -20.3812 -20.3812 -20.1272 -20.1272 -20.1271 -20.1271 -7.1457 -7.1457 -7.0771 -7.0771 -7.0656 -7.0656 -7.0394 -7.0394 -5.4254 -5.4254 -5.2373 -5.2373 -5.1296 -5.1296 -5.0474 -5.0474 -5.0091 -5.0091 -4.9069 -4.9069 -4.3023 -4.3023 -4.2733 -4.2733 -1.4569 -1.4569 -1.1806 -1.1806 5.9578 5.9578 6.1027 6.1027 6.2536 6.2536 6.7346 6.7346 6.8084 6.8084 6.8466 6.8466 7.9808 7.9808 8.3229 8.3229 9.0607 9.0607 9.1439 9.1439 9.5569 9.5569 9.9926 9.9926 k = 0.0250 0.0104 1.2967 ( 6046 PWs) bands (ev): -20.3814 -20.3814 -20.3812 -20.3812 -20.1272 -20.1272 -20.1271 -20.1271 -7.1457 -7.1457 -7.0772 -7.0772 -7.0655 -7.0655 -7.0394 -7.0394 -5.4254 -5.4254 -5.2373 -5.2373 -5.1292 -5.1292 -5.0486 -5.0486 -5.0082 -5.0082 -4.9070 -4.9070 -4.3023 -4.3023 -4.2733 -4.2733 -1.4568 -1.4568 -1.1806 -1.1806 5.9586 5.9586 6.1017 6.1017 6.2546 6.2546 6.7339 6.7339 6.8082 6.8082 6.8453 6.8453 7.9829 7.9829 8.3258 8.3258 9.0368 9.0368 9.1658 9.1658 9.5561 9.5561 9.9900 9.9900 k = 0.0500 0.0209 1.2967 ( 6050 PWs) bands (ev): -20.3814 -20.3814 -20.3812 -20.3812 -20.1272 -20.1272 -20.1271 -20.1271 -7.1456 -7.1456 -7.0774 -7.0774 -7.0653 -7.0653 -7.0394 -7.0394 -5.4254 -5.4254 -5.2376 -5.2376 -5.1281 -5.1281 -5.0516 -5.0516 -5.0057 -5.0057 -4.9074 -4.9074 -4.3023 -4.3023 -4.2733 -4.2733 -1.4567 -1.4567 -1.1808 -1.1808 5.9610 5.9610 6.0989 6.0989 6.2578 6.2578 6.7317 6.7317 6.8075 6.8075 6.8416 6.8416 7.9888 7.9888 8.3344 8.3344 8.9916 8.9916 9.2050 9.2050 9.5535 9.5535 9.9826 9.9826 k = 0.0750 0.0313 1.2967 ( 6072 PWs) bands (ev): -20.3814 -20.3814 -20.3812 -20.3812 -20.1272 -20.1272 -20.1271 -20.1271 -7.1456 -7.1456 -7.0777 -7.0777 -7.0651 -7.0651 -7.0394 -7.0394 -5.4253 -5.4253 -5.2379 -5.2379 -5.1263 -5.1263 -5.0559 -5.0559 -5.0023 -5.0023 -4.9080 -4.9080 -4.3023 -4.3023 -4.2733 -4.2733 -1.4565 -1.4565 -1.1810 -1.1810 5.9649 5.9649 6.0943 6.0943 6.2628 6.2628 6.7278 6.7278 6.8064 6.8064 6.8363 6.8363 7.9981 7.9981 8.3487 8.3487 8.9411 8.9411 9.2456 9.2456 9.5493 9.5493 9.9712 9.9712 k = 0.1000 0.0418 1.2967 ( 6072 PWs) bands (ev): -20.3814 -20.3814 -20.3812 -20.3812 -20.1272 -20.1272 -20.1271 -20.1271 -7.1455 -7.1455 -7.0781 -7.0781 -7.0647 -7.0647 -7.0394 -7.0394 -5.4253 -5.4253 -5.2383 -5.2383 -5.1239 -5.1239 -5.0610 -5.0610 -4.9985 -4.9985 -4.9087 -4.9087 -4.3023 -4.3023 -4.2734 -4.2734 -1.4563 -1.4563 -1.1812 -1.1812 5.9702 5.9702 6.0881 6.0881 6.2694 6.2694 6.7220 6.7220 6.8047 6.8047 6.8306 6.8306 8.0096 8.0096 8.3683 8.3683 8.8886 8.8886 9.2846 9.2846 9.5432 9.5432 9.9569 9.9569 k = 0.1250 0.0522 1.2967 ( 6076 PWs) bands (ev): -20.3815 -20.3815 -20.3812 -20.3812 -20.1272 -20.1272 -20.1271 -20.1271 -7.1454 -7.1454 -7.0785 -7.0785 -7.0644 -7.0644 -7.0394 -7.0394 -5.4252 -5.4252 -5.2388 -5.2388 -5.1208 -5.1208 -5.0665 -5.0665 -4.9948 -4.9948 -4.9096 -4.9096 -4.3023 -4.3023 -4.2734 -4.2734 -1.4560 -1.4560 -1.1815 -1.1815 5.9768 5.9768 6.0805 6.0805 6.2770 6.2770 6.7143 6.7143 6.8027 6.8027 6.8257 6.8257 8.0224 8.0224 8.3931 8.3931 8.8353 8.8353 9.3212 9.3212 9.5353 9.5353 9.9413 9.9413 k = 0.1500 0.0627 1.2967 ( 6086 PWs) bands (ev): -20.3815 -20.3815 -20.3812 -20.3812 -20.1272 -20.1272 -20.1271 -20.1271 -7.1454 -7.1454 -7.0789 -7.0789 -7.0641 -7.0641 -7.0394 -7.0394 -5.4251 -5.4251 -5.2392 -5.2392 -5.1174 -5.1174 -5.0721 -5.0721 -4.9913 -4.9913 -4.9106 -4.9106 -4.3022 -4.3022 -4.2734 -4.2734 -1.4557 -1.4557 -1.1818 -1.1818 5.9846 5.9846 6.0717 6.0717 6.2852 6.2852 6.7052 6.7052 6.8005 6.8005 6.8220 6.8220 8.0351 8.0351 8.4227 8.4227 8.7820 8.7820 9.3549 9.3549 9.5253 9.5253 9.9260 9.9260 k = 0.1750 0.0731 1.2967 ( 6074 PWs) bands (ev): -20.3814 -20.3814 -20.3812 -20.3812 -20.1272 -20.1272 -20.1271 -20.1271 -7.1453 -7.1453 -7.0792 -7.0792 -7.0638 -7.0638 -7.0394 -7.0394 -5.4250 -5.4250 -5.2396 -5.2396 -5.1135 -5.1135 -5.0776 -5.0776 -4.9884 -4.9884 -4.9115 -4.9115 -4.3022 -4.3022 -4.2735 -4.2735 -1.4555 -1.4555 -1.1820 -1.1820 5.9933 5.9933 6.0620 6.0620 6.2929 6.2929 6.6958 6.6958 6.7985 6.7985 6.8195 6.8195 8.0465 8.0465 8.4569 8.4569 8.7293 8.7293 9.3856 9.3856 9.5132 9.5133 9.9123 9.9123 k = 0.2000 0.0836 1.2967 ( 6076 PWs) bands (ev): -20.3814 -20.3814 -20.3812 -20.3812 -20.1272 -20.1272 -20.1271 -20.1271 -7.1453 -7.1453 -7.0795 -7.0795 -7.0636 -7.0636 -7.0394 -7.0394 -5.4250 -5.4250 -5.2399 -5.2399 -5.1096 -5.1096 -5.0827 -5.0827 -4.9861 -4.9861 -4.9123 -4.9123 -4.3022 -4.3022 -4.2735 -4.2735 -1.4553 -1.4553 -1.1822 -1.1822 6.0026 6.0026 6.0520 6.0520 6.2995 6.2995 6.6875 6.6875 6.7971 6.7971 6.8179 6.8179 8.0554 8.0554 8.4950 8.4950 8.6777 8.6777 9.4133 9.4133 9.4989 9.4989 9.9015 9.9015 k = 0.2250 0.0940 1.2967 ( 6068 PWs) bands (ev): -20.3814 -20.3814 -20.3812 -20.3812 -20.1272 -20.1272 -20.1271 -20.1271 -7.1453 -7.1453 -7.0796 -7.0796 -7.0634 -7.0634 -7.0395 -7.0395 -5.4250 -5.4250 -5.2401 -5.2401 -5.1063 -5.1063 -5.0868 -5.0868 -4.9846 -4.9846 -4.9128 -4.9128 -4.3022 -4.3022 -4.2735 -4.2735 -1.4552 -1.4552 -1.1823 -1.1823 6.0116 6.0116 6.0425 6.0425 6.3039 6.3039 6.6818 6.6818 6.7962 6.7962 6.8170 6.8170 8.0612 8.0612 8.5369 8.5369 8.6279 8.6279 9.4381 9.4381 9.4822 9.4822 9.8946 9.8946 k = 0.2500 0.1045 1.2967 ( 6068 PWs) bands (ev): -20.3814 -20.3814 -20.3812 -20.3812 -20.1272 -20.1272 -20.1271 -20.1271 -7.1453 -7.1453 -7.0796 -7.0796 -7.0634 -7.0634 -7.0395 -7.0395 -5.4249 -5.4249 -5.2402 -5.2402 -5.1050 -5.1050 -5.0883 -5.0883 -4.9841 -4.9841 -4.9131 -4.9131 -4.3022 -4.3022 -4.2736 -4.2736 -1.4551 -1.4551 -1.1824 -1.1824 6.0170 6.0170 6.0370 6.0370 6.3054 6.3054 6.6797 6.6797 6.7960 6.7960 6.8168 6.8168 8.0631 8.0631 8.5795 8.5795 8.5826 8.5826 9.4589 9.4589 9.4641 9.4641 9.8923 9.8923 Writing output data file Ba2As.save init_run : 0.38s CPU 0.50s WALL ( 1 calls) electrons : 308.96s CPU 311.87s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.05s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 308.96s CPU 311.85s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.07s CPU 0.09s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.09s WALL ( 269 calls) cegterg : 287.39s CPU 289.63s WALL ( 432 calls) Called by sum_band: Called by *egterg: h_psi : 210.27s CPU 212.26s WALL ( 6604 calls) s_psi : 7.01s CPU 7.07s WALL ( 6604 calls) g_psi : 0.32s CPU 0.35s WALL ( 5903 calls) cdiaghg : 62.38s CPU 63.10s WALL ( 6172 calls) cegterg:over : 9.28s CPU 9.23s WALL ( 5903 calls) cegterg:upda : 9.09s CPU 9.05s WALL ( 5903 calls) cegterg:last : 4.26s CPU 4.31s WALL ( 1092 calls) cdiaghg:chol : 3.51s CPU 3.67s WALL ( 6172 calls) cdiaghg:inve : 2.54s CPU 2.52s WALL ( 6172 calls) cdiaghg:para : 4.24s CPU 4.37s WALL ( 12344 calls) Called by h_psi: h_psi:vloc : 194.27s CPU 196.11s WALL ( 6604 calls) h_psi:vnl : 15.64s CPU 15.78s WALL ( 6604 calls) add_vuspsi : 8.17s CPU 8.26s WALL ( 6604 calls) General routines calbec : 7.46s CPU 7.50s WALL ( 6604 calls) fft : 0.02s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 180.25s CPU 181.93s WALL ( 781520 calls) interpolate : 0.01s CPU 0.00s WALL ( 4 calls) davcio : 0.21s CPU 0.26s WALL ( 538 calls) Parallel routines fft_scatter : 52.30s CPU 53.03s WALL ( 781543 calls) PWSCF : 5m27.63s CPU 5m48.48s WALL This run was terminated on: 19:45:40 27Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=